#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1d5v s LEU 2 N 0.00 4.43 0.01 4.03 1.43 -1.26 -5.04 118.68 122.28 1d5v s LEU 2 Ca 0.00 2.45 -0.01 0.00 -1.03 0.00 0.00 54.13 55.54 1d5v s LEU 2 Cb 0.00 -3.72 -0.01 0.00 0.03 0.00 0.00 46.19 42.49 1d5v s LEU 2 CO 0.00 -0.41 0.01 0.68 0.23 0.00 0.00 176.35 176.86 1d5v s VAL 3 N -1.21 0.09 0.39 -1.59 -7.23 -1.26 -5.14 120.40 104.45 1d5v s VAL 3 Ca 0.49 -0.70 -0.25 0.00 -1.81 0.00 0.00 61.98 59.71 1d5v s VAL 3 Cb -0.35 -0.25 -0.09 0.00 0.56 0.00 0.00 36.38 36.26 1d5v s VAL 3 CO 0.45 -0.39 1.07 -0.54 -0.31 0.00 0.00 175.10 175.38 1d5v s LYS 4 N -1.17 4.18 0.76 4.82 -0.14 -1.26 -4.99 119.74 121.93 1d5v s LYS 4 Ca -0.13 1.58 -0.11 0.00 -1.36 0.00 0.00 55.97 55.95 1d5v s LYS 4 Cb -0.08 -2.61 0.05 0.00 -1.68 0.00 0.00 37.83 33.51 1d5v s LYS 4 CO -0.00 -0.14 1.08 -1.25 -0.76 0.00 0.00 175.35 174.27 1d5v s PRO 5 N -2.39 2.39 0.00 -1.68 0.04 -1.26 -4.94 135.00 127.16 1d5v s PRO 5 Ca 0.57 0.97 0.26 0.00 0.04 0.00 0.00 61.00 62.84 1d5v s PRO 5 Cb -0.24 -1.93 1.44 0.00 0.04 0.00 0.00 34.50 33.82 1d5v s PRO 5 CO 0.30 -1.49 1.90 -0.35 0.04 0.00 0.00 177.00 177.40 1d5v n PRO 6 N -3.40 0.61 -2.01 0.56 -0.04 -1.26 -4.84 135.00 124.63 1d5v n PRO 6 Ca 0.08 0.02 -0.41 0.00 -0.04 0.00 0.00 63.50 63.15 1d5v n PRO 6 Cb 0.54 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 32.48 1d5v n PRO 6 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 1d5v s TYR 7 N -2.26 2.95 0.83 0.54 2.02 -1.26 -4.99 117.35 115.18 1d5v s TYR 7 Ca 0.33 1.17 -0.12 0.00 -0.37 0.00 0.00 57.07 58.07 1d5v s TYR 7 Cb 0.18 -3.81 0.09 0.00 -0.40 0.00 0.00 41.96 38.01 1d5v s TYR 7 CO 0.34 -2.48 1.15 -1.12 -1.57 0.00 0.00 175.55 171.87 1d5v s SER 8 N 0.01 4.31 0.31 2.29 0.01 -1.26 -4.80 113.70 114.56 1d5v s SER 8 Ca 0.55 0.94 -0.01 0.00 1.31 0.00 0.00 55.95 58.74 1d5v s SER 8 Cb -0.42 -1.53 0.48 0.00 0.21 0.00 0.00 66.02 64.76 1d5v s SER 8 CO 0.50 -2.04 1.98 1.88 0.41 0.00 0.00 173.24 175.96 1d5v h TYR 9 N -1.15 1.00 -0.37 2.43 0.05 -1.99 -1.47 116.97 115.47 1d5v h TYR 9 Ca -0.47 0.02 0.00 0.00 0.05 0.00 0.00 58.73 58.33 1d5v h TYR 9 Cb 1.31 -0.34 -0.02 0.00 1.01 0.00 0.00 36.73 38.70 1d5v h TYR 9 CO 0.35 0.63 0.24 0.82 -1.05 0.00 0.00 178.16 179.15 1d5v h ILE 10 N 1.08 1.10 -0.57 -2.88 1.08 -2.00 -1.71 117.51 113.61 1d5v h ILE 10 Ca 0.29 -0.19 -0.06 0.00 -0.39 0.00 0.00 64.86 64.51 1d5v h ILE 10 Cb -0.13 0.56 -0.02 0.00 -3.07 0.00 0.00 36.82 34.16 1d5v h ILE 10 CO -0.06 0.10 0.11 0.00 -0.69 0.00 0.00 178.15 177.60 1d5v h ALA 11 N 1.13 0.75 -0.95 1.87 0.00 -1.73 -1.19 119.26 119.15 1d5v h ALA 11 Ca 0.14 -0.24 -0.00 0.00 0.00 0.00 0.00 54.91 54.80 1d5v h ALA 11 Cb -0.05 -0.22 -0.05 0.00 0.00 0.00 0.00 17.79 17.48 1d5v h ALA 11 CO -0.03 0.48 0.58 -0.07 0.00 0.00 0.00 179.25 180.22 1d5v h LEU 12 N 0.83 1.13 -0.58 0.00 3.38 -1.02 0.18 115.31 119.23 1d5v h LEU 12 Ca 0.18 -0.06 -0.05 0.00 0.09 0.00 0.00 57.88 58.03 1d5v h LEU 12 Cb 0.39 -0.29 -0.02 0.00 0.09 0.00 0.00 40.66 40.83 1d5v h LEU 12 CO 0.01 0.86 0.18 0.40 0.09 0.00 0.00 178.44 179.97 1d5v h ILE 13 N 1.30 1.24 -0.73 1.22 2.04 -0.98 -1.58 117.51 120.02 1d5v h ILE 13 Ca 0.34 -0.83 -0.07 0.00 1.00 0.00 0.00 64.86 65.30 1d5v h ILE 13 Cb -0.07 0.68 -0.03 0.00 -0.74 0.00 0.00 36.82 36.66 1d5v h ILE 13 CO -0.07 0.31 0.20 0.74 0.00 0.00 0.00 178.15 179.33 1d5v h THR 14 N 0.83 1.26 -0.57 -0.27 2.02 -0.21 -2.71 112.91 113.27 1d5v h THR 14 Ca 0.19 -0.96 -0.10 0.00 0.77 0.00 0.00 66.41 66.31 1d5v h THR 14 Cb 0.30 0.49 -0.02 0.00 -1.74 0.00 0.00 68.15 67.18 1d5v h THR 14 CO -0.00 0.37 -0.03 0.24 0.37 0.00 0.00 175.52 176.47 1d5v h MET 15 N 1.10 1.01 -0.86 6.66 2.86 -0.40 -2.17 114.93 123.14 1d5v h MET 15 Ca 0.23 -0.33 0.01 0.00 -2.06 0.00 0.00 59.70 57.55 1d5v h MET 15 Cb 0.35 -0.09 -0.04 0.00 0.06 0.00 0.00 31.60 31.88 1d5v h MET 15 CO -0.00 1.01 0.56 0.00 1.06 0.00 0.00 176.91 179.54 1d5v h ALA 16 N 1.03 1.09 -0.03 6.32 0.00 -1.02 0.52 119.26 127.17 1d5v h ALA 16 Ca 0.16 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 1d5v h ALA 16 Cb 0.58 -0.35 -0.00 0.00 0.00 0.00 0.00 17.79 18.02 1d5v h ALA 16 CO 0.03 0.51 -0.03 0.82 0.00 0.00 0.00 179.25 180.58 1d5v h ILE 17 N 1.17 1.37 -0.63 0.00 2.04 -1.30 0.22 117.51 120.39 1d5v h ILE 17 Ca 0.31 -1.16 -0.10 0.00 1.00 0.00 0.00 64.86 64.92 1d5v h ILE 17 Cb -0.12 2.08 -0.02 0.00 -0.74 0.00 0.00 36.82 38.01 1d5v h ILE 17 CO -0.07 0.31 0.02 1.56 0.00 0.00 0.00 178.15 179.97 1d5v h GLN 18 N -0.37 1.09 0.00 2.37 4.20 -1.20 -2.75 115.11 118.46 1d5v h GLN 18 Ca 0.01 -0.34 0.00 0.00 0.06 0.00 0.00 58.65 58.38 1d5v h GLN 18 Cb 0.52 -0.10 0.00 0.00 0.30 0.00 0.00 27.48 28.20 1d5v h GLN 18 CO 0.01 1.05 -0.11 0.09 -0.67 0.00 0.00 178.83 179.19 1d5v n ASN 19 N -4.18 0.19 -4.81 1.46 3.02 0.18 -4.83 115.26 106.29 1d5v n ASN 19 Ca 0.03 0.35 -0.34 0.00 -0.03 0.00 0.00 54.58 54.60 1d5v n ASN 19 Cb 0.34 -0.36 -0.06 0.00 -0.61 0.00 0.00 39.78 39.08 1d5v n ASN 19 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1d5v s ALA 20 N -3.01 3.04 0.08 5.41 0.00 0.06 -4.98 121.76 122.36 1d5v s ALA 20 Ca 0.13 0.46 -0.32 0.00 0.00 0.00 0.00 51.96 52.22 1d5v s ALA 20 Cb 0.18 -3.17 -0.16 0.00 0.00 0.00 0.00 23.12 19.97 1d5v s ALA 20 CO 0.57 0.06 1.61 -1.00 0.00 0.00 0.00 175.76 177.00 1d5v h PRO 21 N 2.03 -0.82 -5.19 0.00 0.13 -1.88 -3.40 132.00 122.88 1d5v h PRO 21 Ca -0.49 0.06 -0.63 0.00 -0.87 0.00 0.00 66.00 64.07 1d5v h PRO 21 Cb 1.19 0.19 -0.18 0.00 0.13 0.00 0.00 31.00 32.32 1d5v h PRO 21 CO 0.61 -0.55 -0.59 -1.21 -0.23 0.00 0.00 178.00 176.03 1d5v s GLU 22 N -6.01 3.85 0.53 0.86 8.01 -1.26 -4.97 118.70 119.71 1d5v s GLU 22 Ca -0.17 -0.40 0.19 0.00 0.01 0.00 0.00 54.97 54.59 1d5v s GLU 22 Cb 0.05 -3.21 1.37 0.00 -4.31 0.00 0.00 34.13 28.03 1d5v s GLU 22 CO 0.62 0.14 2.16 0.87 0.01 0.00 0.00 175.26 179.06 1d5v h LYS 23 N 7.14 0.00 -5.84 1.61 1.57 -1.79 -3.28 116.57 115.98 1d5v h LYS 23 Ca -0.36 0.00 -0.60 0.00 -1.87 0.00 0.00 60.65 57.82 1d5v h LYS 23 Cb 1.17 0.00 -0.08 0.00 0.08 0.00 0.00 32.23 33.41 1d5v h LYS 23 CO 0.65 0.01 1.84 0.15 -0.57 0.00 0.00 179.45 181.54 1d5v s LYS 24 N -4.93 3.63 0.08 3.15 1.02 -1.26 -4.30 119.74 117.13 1d5v s LYS 24 Ca -0.05 -1.63 0.06 0.00 0.02 0.00 0.00 55.97 54.37 1d5v s LYS 24 Cb 0.16 -5.44 -0.04 0.00 -0.52 0.00 0.00 37.83 32.00 1d5v s LYS 24 CO 0.64 -2.55 -0.08 -1.50 -0.92 0.00 0.00 175.35 170.94 1d5v s ILE 25 N 5.63 3.52 0.66 2.17 2.07 -1.23 -4.81 121.20 129.21 1d5v s ILE 25 Ca 0.55 -1.11 -0.11 0.00 -1.41 0.00 0.00 60.65 58.57 1d5v s ILE 25 Cb 0.02 -2.62 -0.02 0.00 0.13 0.00 0.00 42.46 39.97 1d5v s ILE 25 CO 0.05 0.18 1.05 0.42 -1.91 0.00 0.00 174.94 174.73 1d5v s THR 26 N -1.18 4.30 0.21 4.00 -4.23 -1.26 -2.23 115.64 115.25 1d5v s THR 26 Ca 0.21 0.75 -0.10 0.00 -1.18 0.00 0.00 61.69 61.36 1d5v s THR 26 Cb -0.11 -3.69 0.15 0.00 1.34 0.00 0.00 72.50 70.19 1d5v s THR 26 CO 0.13 -0.98 1.88 0.25 -0.54 0.00 0.00 174.62 175.36 1d5v h LEU 27 N -0.48 0.85 -0.96 4.79 5.85 -1.98 -1.65 115.31 121.74 1d5v h LEU 27 Ca -0.44 -0.02 -0.00 0.00 0.84 0.00 0.00 57.88 58.25 1d5v h LEU 27 Cb 1.21 -0.21 -0.05 0.00 0.37 0.00 0.00 40.66 41.98 1d5v h LEU 27 CO 0.61 0.62 0.59 0.78 -0.34 0.00 0.00 178.44 180.70 1d5v h ASN 28 N 1.01 1.15 -0.56 1.25 2.35 -1.96 -1.82 115.58 116.99 1d5v h ASN 28 Ca 0.27 -0.06 -0.00 0.00 -0.55 0.00 0.00 56.30 55.95 1d5v h ASN 28 Cb -0.11 -0.29 -0.03 0.00 0.05 0.00 0.00 38.32 37.94 1d5v h ASN 28 CO -0.06 0.87 0.34 1.23 -1.65 0.00 0.00 177.43 178.17 1d5v h GLY 29 N 1.32 0.83 1.01 2.83 0.00 -1.68 -2.40 103.07 104.99 1d5v h GLY 29 Ca 0.35 -0.34 -0.00 0.00 0.00 0.00 0.00 47.33 47.33 1d5v h GLY 29 CO -0.07 0.33 0.52 -2.22 0.00 0.00 0.00 176.54 175.10 1d5v h ILE 30 N 0.80 1.23 -1.00 2.60 2.04 -0.72 -2.22 117.51 120.24 1d5v h ILE 30 Ca 0.21 -0.50 0.01 0.00 1.00 0.00 0.00 64.86 65.58 1d5v h ILE 30 Cb -0.02 0.03 -0.05 0.00 -0.74 0.00 0.00 36.82 36.04 1d5v h ILE 30 CO -0.04 0.24 0.66 1.88 0.00 0.00 0.00 178.15 180.90 1d5v h TYR 31 N 1.17 1.26 -0.97 1.37 0.05 -1.35 -2.05 116.97 116.44 1d5v h TYR 31 Ca 0.31 0.03 0.01 0.00 0.05 0.00 0.00 58.73 59.13 1d5v h TYR 31 Cb -0.06 -0.43 -0.05 0.00 1.01 0.00 0.00 36.73 37.21 1d5v h TYR 31 CO -0.00 0.79 0.65 0.37 -1.05 0.00 0.00 178.16 178.91 1d5v h GLN 32 N 1.36 1.28 -0.16 4.88 4.15 -1.36 -1.65 115.11 123.61 1d5v h GLN 32 Ca 0.37 -0.08 -0.03 0.00 0.77 0.00 0.00 58.65 59.68 1d5v h GLN 32 Cb -0.16 -0.29 -0.01 0.00 0.21 0.00 0.00 27.48 27.24 1d5v h GLN 32 CO -0.08 0.85 -0.02 0.35 -1.93 0.00 0.00 178.83 178.00 1d5v h PHE 33 N 1.32 0.33 -0.01 3.99 3.57 -1.13 -1.86 116.94 123.15 1d5v h PHE 33 Ca 0.36 -0.06 0.00 0.00 3.53 0.00 0.00 57.97 61.80 1d5v h PHE 33 Cb -0.15 -0.08 -0.00 0.00 2.79 0.00 0.00 35.95 38.50 1d5v h PHE 33 CO -0.00 0.54 0.01 0.82 -2.23 0.00 0.00 178.31 177.44 1d5v h ILE 34 N 0.02 1.01 -0.87 1.41 2.04 -1.11 -0.47 117.51 119.55 1d5v h ILE 34 Ca 0.04 -0.03 -0.03 0.00 1.00 0.00 0.00 64.86 65.85 1d5v h ILE 34 Cb 0.42 1.01 -0.04 0.00 -0.74 0.00 0.00 36.82 37.46 1d5v h ILE 34 CO 0.01 0.01 0.44 0.24 0.00 0.00 0.00 178.15 178.85 1d5v h MET 35 N 0.01 1.25 -0.03 2.37 2.86 -1.34 0.10 114.93 120.14 1d5v h MET 35 Ca 0.00 -0.17 -0.00 0.00 -2.06 0.00 0.00 59.70 57.47 1d5v h MET 35 Cb 0.01 -0.23 -0.00 0.00 0.06 0.00 0.00 31.60 31.44 1d5v h MET 35 CO -0.00 0.94 0.02 -0.44 1.06 0.00 0.00 176.91 178.49 1d5v h ASP 36 N 1.24 0.04 0.45 1.22 3.32 -0.96 -3.27 116.42 118.46 1d5v h ASP 36 Ca 0.30 -0.10 -0.02 0.00 0.02 0.00 0.00 57.03 57.23 1d5v h ASP 36 Cb 0.09 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 39.63 1d5v h ASP 36 CO -0.04 0.13 -0.22 -0.09 -1.72 0.00 0.00 179.24 177.30 1d5v h ARG 37 N -0.05 -0.58 -4.61 3.56 2.43 -0.87 -3.41 114.38 110.84 1d5v h ARG 37 Ca 0.01 0.04 -0.70 0.00 -0.81 0.00 0.00 59.98 58.52 1d5v h ARG 37 Cb 0.10 0.13 -0.20 0.00 -0.42 0.00 0.00 29.97 29.58 1d5v h ARG 37 CO -0.00 -0.33 -0.46 -0.06 -1.51 0.00 0.00 179.97 177.61 1d5v s PHE 38 N -3.81 3.23 -0.99 2.20 0.08 0.33 -4.94 117.98 114.08 1d5v s PHE 38 Ca -0.11 -0.39 0.29 0.00 0.12 0.00 0.00 56.93 56.84 1d5v s PHE 38 Cb 0.01 -2.53 1.22 0.00 -0.57 0.00 0.00 43.02 41.15 1d5v s PHE 38 CO 0.34 -0.47 1.92 -0.35 -0.10 0.00 0.00 175.22 176.57 1d5v n PRO 39 N 5.13 0.01 -0.26 0.24 -0.04 -1.23 -3.65 135.00 135.19 1d5v n PRO 39 Ca -0.12 0.01 -0.00 0.00 -0.04 0.00 0.00 63.50 63.35 1d5v n PRO 39 Cb 0.48 -1.51 0.21 0.00 -0.04 0.00 0.00 33.50 32.64 1d5v n PRO 39 CO 0.00 0.00 0.00 0.74 -0.04 0.00 0.00 175.50 176.20 1d5v h PHE 40 N 0.00 1.04 0.00 0.54 0.04 -1.92 -1.79 116.94 114.84 1d5v h PHE 40 Ca 0.00 0.02 -0.04 0.00 2.80 0.00 0.00 57.97 60.76 1d5v h PHE 40 Cb 0.51 -0.35 -0.01 0.00 2.20 0.00 0.00 35.95 38.30 1d5v h PHE 40 CO 0.00 0.66 -0.17 1.88 -0.60 0.00 0.00 178.31 180.08 1d5v h TYR 41 N 1.12 0.00 -1.00 -0.55 -1.99 -1.83 -2.58 116.97 110.13 1d5v h TYR 41 Ca 0.30 0.00 0.01 0.00 2.00 0.00 0.00 58.73 61.04 1d5v h TYR 41 Cb -0.12 0.00 -0.05 0.00 2.00 0.00 0.00 36.73 38.56 1d5v h TYR 41 CO 0.00 0.17 0.66 0.00 -0.00 0.00 0.00 178.16 179.00 1d5v h ARG 42 N 0.00 1.31 -0.89 4.88 3.08 -1.54 -1.71 114.38 119.51 1d5v h ARG 42 Ca -0.00 -0.08 -0.02 0.00 0.07 0.00 0.00 59.98 59.95 1d5v h ARG 42 Cb 0.33 -0.30 -0.04 0.00 0.08 0.00 0.00 29.97 30.04 1d5v h ARG 42 CO 0.02 0.87 0.47 0.93 -1.07 0.00 0.00 179.97 181.20 1d5v h GLU 43 N 1.35 1.25 -4.64 0.04 5.08 -1.54 -3.36 114.58 112.76 1d5v h GLU 43 Ca 0.37 -0.15 -0.69 0.00 -1.00 0.00 0.00 59.36 57.89 1d5v h GLU 43 Cb -0.15 -0.24 -0.34 0.00 0.50 0.00 0.00 28.75 28.52 1d5v h GLU 43 CO -0.08 0.92 -0.64 -0.80 -1.00 0.00 0.00 179.01 177.41 1d5v s ASN 44 N -6.24 5.04 -0.19 1.42 0.01 -0.65 -4.94 114.94 109.39 1d5v s ASN 44 Ca -0.13 -1.68 0.13 0.00 -0.71 0.00 0.00 52.86 50.47 1d5v s ASN 44 Cb 0.17 -1.76 -0.23 0.00 0.41 0.00 0.00 41.25 39.84 1d5v s ASN 44 CO 0.83 -0.39 0.09 0.29 -1.51 0.00 0.00 177.10 176.40 1d5v n LYS 45 N 4.58 0.68 -3.27 -0.60 5.02 -1.22 -4.68 118.16 118.66 1d5v n LYS 45 Ca -0.07 0.07 -0.39 0.00 -2.02 0.00 0.00 58.31 55.91 1d5v n LYS 45 Cb 0.42 -1.56 -0.06 0.00 -0.02 0.00 0.00 35.03 33.82 1d5v n LYS 45 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 1d5v s GLN 46 N -2.51 4.23 0.00 1.97 -0.21 -1.26 -3.81 119.66 118.07 1d5v s GLN 46 Ca -0.15 0.68 0.00 0.00 0.02 0.00 0.00 55.36 55.91 1d5v s GLN 46 Cb 0.07 -3.30 0.00 0.00 1.00 0.00 0.00 33.01 30.78 1d5v s GLN 46 CO 0.78 0.49 0.00 0.41 -2.12 0.00 0.00 175.29 174.85 1d5v n GLY 47 N 2.17 2.49 0.20 3.09 0.00 -1.26 -4.80 105.19 107.09 1d5v n GLY 47 Ca -0.09 -0.76 -0.12 0.00 0.00 0.00 0.00 46.02 45.04 1d5v n GLY 47 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 173.32 173.43 1d5v h TRP 48 N 0.00 0.77 -0.46 1.61 5.08 -1.88 -2.74 115.95 118.33 1d5v h TRP 48 Ca 0.00 -0.32 0.00 0.00 1.08 0.00 0.00 58.89 59.65 1d5v h TRP 48 Cb 0.00 -0.13 -0.02 0.00 -3.00 0.00 0.00 29.16 26.01 1d5v h TRP 48 CO 0.00 1.10 0.31 0.37 -1.28 0.00 0.00 178.44 178.94 1d5v h GLN 49 N 0.41 0.61 -0.34 0.12 4.15 -1.87 -2.37 115.11 115.82 1d5v h GLN 49 Ca -0.03 -0.04 -0.13 0.00 0.77 0.00 0.00 58.65 59.22 1d5v h GLN 49 Cb 1.29 -0.14 -0.01 0.00 0.21 0.00 0.00 27.48 28.83 1d5v h GLN 49 CO 0.13 0.41 -0.32 -0.91 -1.93 0.00 0.00 178.83 176.21 1d5v h ASN 50 N 0.63 0.79 -0.94 -0.69 2.35 -1.86 -3.04 115.58 112.81 1d5v h ASN 50 Ca 0.17 -0.33 0.01 0.00 -0.55 0.00 0.00 56.30 55.61 1d5v h ASN 50 Cb -0.07 -0.22 -0.05 0.00 0.05 0.00 0.00 38.32 38.04 1d5v h ASN 50 CO -0.04 1.05 0.63 0.28 -1.65 0.00 0.00 177.43 177.70 1d5v h SER 51 N 0.64 1.08 -0.32 5.81 0.02 -1.16 -2.09 113.55 117.52 1d5v h SER 51 Ca 0.07 -0.03 0.00 0.00 -0.84 0.00 0.00 61.79 61.00 1d5v h SER 51 Cb 0.86 -0.27 -0.02 0.00 0.14 0.00 0.00 62.40 63.11 1d5v h SER 51 CO 0.07 0.78 0.21 0.40 -1.14 0.00 0.00 176.83 177.15 1d5v h ILE 52 N 1.27 1.08 -0.60 3.27 1.08 -1.32 -1.37 117.51 120.92 1d5v h ILE 52 Ca 0.35 -0.15 -0.06 0.00 -0.39 0.00 0.00 64.86 64.61 1d5v h ILE 52 Cb -0.13 0.61 -0.02 0.00 -3.07 0.00 0.00 36.82 34.20 1d5v h ILE 52 CO -0.08 0.08 0.13 0.03 -0.69 0.00 0.00 178.15 177.62 1d5v h ARG 53 N 0.44 0.97 -0.48 2.37 3.08 -1.49 -1.77 114.38 117.50 1d5v h ARG 53 Ca 0.12 -0.24 0.00 0.00 0.07 0.00 0.00 59.98 59.93 1d5v h ARG 53 Cb -0.05 -0.12 -0.02 0.00 0.08 0.00 0.00 29.97 29.85 1d5v h ARG 53 CO -0.03 0.90 0.32 1.25 -1.07 0.00 0.00 179.97 181.34 1d5v h HIS 54 N 0.88 0.60 -0.69 3.04 2.76 -1.05 -1.89 115.15 118.81 1d5v h HIS 54 Ca 0.19 0.01 -0.08 0.00 -2.20 0.00 0.00 60.37 58.29 1d5v h HIS 54 Cb 0.37 -0.20 -0.03 0.00 1.55 0.00 0.00 27.41 29.10 1d5v h HIS 54 CO 0.03 0.38 0.12 -0.91 -1.30 0.00 0.00 177.93 176.25 1d5v h ASN 55 N 0.65 1.08 -0.32 3.26 2.35 -1.09 -1.91 115.58 119.60 1d5v h ASN 55 Ca 0.18 -0.25 0.00 0.00 -0.55 0.00 0.00 56.30 55.68 1d5v h ASN 55 Cb -0.07 -0.29 -0.02 0.00 0.05 0.00 0.00 38.32 37.99 1d5v h ASN 55 CO -0.04 1.06 0.21 -0.07 -1.65 0.00 0.00 177.43 176.94 1d5v h LEU 56 N 1.06 0.36 -0.39 1.61 3.38 -0.81 1.09 115.31 121.60 1d5v h LEU 56 Ca 0.21 -0.01 -0.04 0.00 0.09 0.00 0.00 57.88 58.13 1d5v h LEU 56 Cb 0.43 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 41.08 1d5v h LEU 56 CO 0.01 0.26 0.09 -1.28 0.09 0.00 0.00 178.44 177.61 1d5v h SER 57 N 0.43 0.60 -0.34 -0.43 0.87 -1.22 -3.02 113.55 110.43 1d5v h SER 57 Ca 0.12 -0.24 -0.09 0.00 -1.23 0.00 0.00 61.79 60.35 1d5v h SER 57 Cb -0.04 -0.16 -0.01 0.00 -0.44 0.00 0.00 62.40 61.75 1d5v h SER 57 CO -0.03 0.69 -0.12 -0.07 -0.53 0.00 0.00 176.83 176.76 1d5v h LEU 58 N 0.49 0.70 -8.55 2.23 3.38 -1.01 -3.39 115.31 109.17 1d5v h LEU 58 Ca 0.12 -0.38 -0.60 0.00 0.09 0.00 0.00 57.88 57.11 1d5v h LEU 58 Cb 0.32 -0.19 -0.11 0.00 0.09 0.00 0.00 40.66 40.77 1d5v h LEU 58 CO 0.00 0.93 0.63 0.20 0.09 0.00 0.00 178.44 180.29 1d5v s ASN 59 N -6.34 6.40 -0.00 -0.43 0.01 0.37 -4.85 114.94 110.09 1d5v s ASN 59 Ca -0.13 -0.17 0.13 0.00 -0.71 0.00 0.00 52.86 51.98 1d5v s ASN 59 Cb 0.09 -2.46 0.37 0.00 0.41 0.00 0.00 41.25 39.66 1d5v s ASN 59 CO 0.81 -1.22 1.30 -0.62 -1.51 0.00 0.00 177.10 175.85 1d5v n GLU 60 N 7.54 1.99 0.25 -0.60 1.02 -1.26 -4.11 120.64 125.46 1d5v n GLU 60 Ca 0.04 -1.49 0.10 0.00 -0.02 0.00 0.00 57.16 55.79 1d5v n GLU 60 Cb 0.48 -1.34 0.64 0.00 -0.02 0.00 0.00 31.44 31.20 1d5v n GLU 60 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1d5v s PHE 62 N -4.22 3.44 -0.28 0.00 0.08 -1.26 -4.82 117.98 110.91 1d5v s PHE 62 Ca -0.03 1.67 -0.20 0.00 0.12 0.00 0.00 56.93 58.50 1d5v s PHE 62 Cb 0.13 -2.89 -0.01 0.00 -0.57 0.00 0.00 43.02 39.68 1d5v s PHE 62 CO 0.62 -0.03 0.60 0.08 -0.10 0.00 0.00 175.22 176.40 1d5v s VAL 63 N -1.96 4.98 -0.61 -0.44 1.01 -0.12 -4.95 120.40 118.30 1d5v s VAL 63 Ca 0.58 0.92 -0.20 0.00 0.00 0.00 0.00 61.98 63.28 1d5v s VAL 63 Cb -0.13 -3.95 0.09 0.00 0.00 0.00 0.00 36.38 32.39 1d5v s VAL 63 CO 0.17 -0.05 0.79 -0.54 0.00 0.00 0.00 175.10 175.47 1d5v s LYS 64 N 2.52 3.07 -0.25 2.72 1.02 -1.26 -2.76 119.74 124.80 1d5v s LYS 64 Ca 0.24 -1.13 -0.10 0.00 0.02 0.00 0.00 55.97 55.01 1d5v s LYS 64 Cb -0.15 -4.25 -0.05 0.00 -0.52 0.00 0.00 37.83 32.86 1d5v s LYS 64 CO 0.10 -1.63 0.15 0.14 -0.92 0.00 0.00 175.35 173.19 1d5v s VAL 65 N 3.18 5.20 0.83 3.17 -7.23 -0.84 -4.94 120.40 119.77 1d5v s VAL 65 Ca 0.15 0.13 -0.11 0.00 -1.81 0.00 0.00 61.98 60.34 1d5v s VAL 65 Cb -0.21 -3.43 0.12 0.00 0.56 0.00 0.00 36.38 33.41 1d5v s VAL 65 CO 0.08 0.33 1.18 -2.16 -0.31 0.00 0.00 175.10 174.22 1d5v s PRO 66 N 1.22 1.59 0.61 4.82 0.04 -1.26 -0.71 135.00 141.30 1d5v s PRO 66 Ca 0.07 -0.20 -0.12 0.00 0.04 0.00 0.00 61.00 60.79 1d5v s PRO 66 Cb -0.14 -1.99 -0.05 0.00 0.04 0.00 0.00 34.50 32.36 1d5v s PRO 66 CO 0.06 -1.76 1.02 1.03 0.04 0.00 0.00 177.00 177.39 1d5v s ARG 67 N -5.58 3.65 0.74 4.56 0.52 -1.26 -4.82 118.95 116.76 1d5v s ARG 67 Ca 0.65 0.78 -0.11 0.00 -0.52 0.00 0.00 55.73 56.54 1d5v s ARG 67 Cb -0.08 -2.09 0.05 0.00 0.52 0.00 0.00 34.95 33.35 1d5v s ARG 67 CO 0.49 -0.53 1.10 0.34 0.02 0.00 0.00 175.30 176.72 1d5v s ASP 68 N -4.04 4.99 0.31 0.23 -1.08 -1.26 -4.96 116.67 110.86 1d5v s ASP 68 Ca 0.55 0.86 0.00 0.00 -0.52 0.00 0.00 52.55 53.45 1d5v s ASP 68 Cb -0.11 -1.53 0.49 0.00 -1.46 0.00 0.00 42.92 40.31 1d5v s ASP 68 CO 0.51 -1.58 1.90 0.44 0.52 0.00 0.00 175.17 176.95 1d5v h ASP 69 N -0.77 0.76 -0.99 -0.34 3.32 -2.00 -2.41 116.42 113.98 1d5v h ASP 69 Ca -0.45 -0.09 0.01 0.00 0.02 0.00 0.00 57.03 56.52 1d5v h ASP 69 Cb 1.29 -0.19 -0.05 0.00 0.22 0.00 0.00 39.33 40.60 1d5v h ASP 69 CO 0.64 0.67 0.66 0.11 -1.72 0.00 0.00 179.24 179.60 1d5v h LYS 70 N 0.83 1.29 -6.43 3.56 1.57 -2.05 -3.41 116.57 111.94 1d5v h LYS 70 Ca 0.20 -0.08 -0.54 0.00 -1.87 0.00 0.00 60.65 58.36 1d5v h LYS 70 Cb 0.14 -0.29 -0.03 0.00 0.08 0.00 0.00 32.23 32.12 1d5v h LYS 70 CO -0.02 0.86 -0.10 0.15 -0.57 0.00 0.00 179.45 179.76 1d5v s LYS 71 N -6.10 3.83 0.07 3.15 1.02 -0.91 -5.05 119.74 115.76 1d5v s LYS 71 Ca -0.13 0.32 -0.30 0.00 0.02 0.00 0.00 55.97 55.88 1d5v s LYS 71 Cb 0.18 -2.69 -0.06 0.00 -0.52 0.00 0.00 37.83 34.75 1d5v s LYS 71 CO 0.82 0.34 1.17 -1.25 -0.92 0.00 0.00 175.35 175.51 1d5v s PRO 72 N -2.68 4.46 -0.63 -1.68 0.04 -1.26 -4.54 135.00 128.71 1d5v s PRO 72 Ca 0.46 1.73 -0.20 0.00 0.04 0.00 0.00 61.00 63.04 1d5v s PRO 72 Cb -0.12 -3.35 -0.19 0.00 0.04 0.00 0.00 34.50 30.89 1d5v s PRO 72 CO 0.21 -0.21 1.69 0.41 0.04 0.00 0.00 177.00 179.14 1d5v n GLY 73 N 3.07 -0.21 0.26 0.56 0.00 -1.26 -4.61 105.19 103.00 1d5v n GLY 73 Ca 0.08 -0.07 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 1d5v n GLY 73 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1d5v h LYS 74 N 10.58 0.90 0.00 1.61 1.57 -1.98 -3.48 116.57 125.77 1d5v h LYS 74 Ca 0.03 -0.50 0.24 0.00 -1.87 0.00 0.00 60.65 58.55 1d5v h LYS 74 Cb 0.93 0.03 -0.05 0.00 0.08 0.00 0.00 32.23 33.23 1d5v h LYS 74 CO 1.11 1.15 0.60 0.41 -0.57 0.00 0.00 179.45 182.15 1d5v n GLY 75 N 0.20 0.22 3.86 3.86 0.00 -1.26 -5.15 105.19 106.92 1d5v n GLY 75 Ca -0.03 -0.93 -0.37 0.00 0.00 0.00 0.00 46.02 44.69 1d5v n GLY 75 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1d5v s SER 76 N -2.76 6.52 0.18 1.61 1.04 -1.26 -4.22 113.70 114.81 1d5v s SER 76 Ca 0.19 0.62 -0.18 0.00 0.48 0.00 0.00 55.95 57.06 1d5v s SER 76 Cb -0.00 -2.13 -0.08 0.00 0.10 0.00 0.00 66.02 63.92 1d5v s SER 76 CO -0.02 0.38 0.66 -0.31 0.98 0.00 0.00 173.24 174.93 1d5v s TYR 77 N -1.02 3.65 -0.12 5.02 2.02 0.11 -4.37 117.35 122.65 1d5v s TYR 77 Ca 0.18 1.27 0.00 0.00 -0.37 0.00 0.00 57.07 58.16 1d5v s TYR 77 Cb -0.13 -2.53 -0.01 0.00 -0.40 0.00 0.00 41.96 38.88 1d5v s TYR 77 CO 0.07 0.39 -0.14 -1.58 -1.57 0.00 0.00 175.55 172.72 1d5v s TRP 78 N -1.46 2.78 0.03 2.71 0.52 -0.95 -1.98 118.94 120.59 1d5v s TRP 78 Ca 0.40 -0.64 -0.26 0.00 0.02 0.00 0.00 56.10 55.62 1d5v s TRP 78 Cb -0.16 -1.82 0.06 0.00 -1.15 0.00 0.00 33.47 30.40 1d5v s TRP 78 CO 0.20 -0.20 0.60 -0.08 0.02 0.00 0.00 176.95 177.50 1d5v s THR 79 N 0.26 0.01 -0.59 2.01 -1.32 -1.11 -3.58 115.64 111.32 1d5v s THR 79 Ca -0.10 -0.09 -0.19 0.00 -1.21 0.00 0.00 61.69 60.10 1d5v s THR 79 Cb -0.16 -0.98 0.10 0.00 -1.51 0.00 0.00 72.50 69.96 1d5v s THR 79 CO 0.06 -0.05 0.69 -0.76 -2.21 0.00 0.00 174.62 172.34 1d5v s LEU 80 N -1.78 5.44 -0.41 9.08 1.43 -1.26 -0.94 118.68 130.23 1d5v s LEU 80 Ca -0.07 -1.45 0.04 0.00 -1.03 0.00 0.00 54.13 51.63 1d5v s LEU 80 Cb -0.01 -2.30 0.18 0.00 0.03 0.00 0.00 46.19 44.09 1d5v s LEU 80 CO 0.01 -1.10 0.36 0.47 0.23 0.00 0.00 176.35 176.32 1d5v n ASP 81 N 6.26 -0.44 -0.54 2.29 9.92 -1.26 -4.99 116.55 127.79 1d5v n ASP 81 Ca -0.10 -2.40 0.00 0.00 -0.53 0.00 0.00 54.79 51.76 1d5v n ASP 81 Cb 0.42 -0.55 0.00 0.00 -0.64 0.00 0.00 41.12 40.35 1d5v n ASP 81 CO 0.00 0.00 0.00 -2.65 0.13 0.00 0.00 177.20 174.68 1d5v n PRO 82 N 2.70 2.91 -0.85 -0.24 -0.02 -1.26 -4.74 135.00 133.50 1d5v n PRO 82 Ca 0.29 0.00 -0.17 0.00 -2.02 0.00 0.00 63.50 61.60 1d5v n PRO 82 Cb 0.48 0.00 0.11 0.00 -0.02 0.00 0.00 33.50 34.07 1d5v n PRO 82 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 1d5v n ASP 83 N 0.00 4.10 -4.47 2.55 5.75 -1.26 -4.90 116.55 118.32 1d5v n ASP 83 Ca 0.00 -3.10 -0.15 0.00 -0.01 0.00 0.00 54.79 51.53 1d5v n ASP 83 Cb 0.00 -0.78 -0.13 0.00 -1.03 0.00 0.00 41.12 39.18 1d5v n ASP 83 CO 0.00 0.00 0.00 -0.24 -0.11 0.00 0.00 177.20 176.85 1d5v n SER 84 N -0.49 -0.03 0.03 -1.12 2.88 -1.26 -4.71 113.62 108.92 1d5v n SER 84 Ca 0.40 -1.24 -0.12 0.00 -1.33 0.00 0.00 58.87 56.58 1d5v n SER 84 Cb 1.15 -1.09 -0.08 0.00 -0.75 0.00 0.00 64.21 63.44 1d5v n SER 84 CO 0.00 0.00 0.00 0.22 -1.23 0.00 0.00 175.04 174.03 1d5v h TYR 85 N 11.43 -0.01 0.00 0.66 3.20 -2.02 -3.38 116.97 126.86 1d5v h TYR 85 Ca 0.02 -0.00 -0.07 0.00 3.14 0.00 0.00 58.73 61.82 1d5v h TYR 85 Cb 1.05 0.00 -0.13 0.00 1.54 0.00 0.00 36.73 39.20 1d5v h TYR 85 CO 1.29 0.09 -0.53 0.09 -1.64 0.00 0.00 178.16 177.46 1d5v n ASN 86 N -5.05 0.14 -4.66 -2.11 3.02 -1.26 -5.08 115.26 100.26 1d5v n ASN 86 Ca -0.07 -1.81 -0.42 0.00 -0.03 0.00 0.00 54.58 52.24 1d5v n ASN 86 Cb 0.07 -0.12 -0.03 0.00 -0.61 0.00 0.00 39.78 39.10 1d5v n ASN 86 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 1d5v s MET 87 N 0.00 4.20 -0.10 3.52 -1.94 -1.26 -4.86 119.30 118.86 1d5v s MET 87 Ca 0.09 2.03 0.17 0.00 -1.71 0.00 0.00 55.69 56.28 1d5v s MET 87 Cb 0.11 -3.90 -0.24 0.00 2.01 0.00 0.00 34.83 32.81 1d5v s MET 87 CO -0.05 -0.79 0.37 1.19 -0.01 0.00 0.00 175.02 175.73 1d5v n PHE 88 N 6.87 0.35 -4.20 -0.03 3.72 -1.26 -5.00 117.46 117.91 1d5v n PHE 88 Ca 0.16 0.12 -0.14 0.00 -0.05 0.00 0.00 57.45 57.54 1d5v n PHE 88 Cb 0.43 -0.97 -0.09 0.00 -0.94 0.00 0.00 39.48 37.91 1d5v n PHE 88 CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 176.76 175.50 1d5v s GLU 89 N -2.74 1.40 1.02 -1.08 2.02 -1.26 -5.14 118.70 112.92 1d5v s GLU 89 Ca -0.07 -1.71 -0.21 0.00 0.02 0.00 0.00 54.97 52.99 1d5v s GLU 89 Cb 0.08 0.31 -0.09 0.00 0.10 0.00 0.00 34.13 34.53 1d5v s GLU 89 CO 0.84 -0.49 -0.80 0.09 0.02 0.00 0.00 175.26 174.91 1d5v n ASN 90 N -0.65 -3.49 -2.39 -0.19 5.03 -1.26 -4.51 115.26 107.79 1d5v n ASN 90 Ca 0.03 0.05 -0.03 0.00 0.87 0.00 0.00 54.58 55.50 1d5v n ASN 90 Cb 0.65 -0.75 -0.04 0.00 -1.02 0.00 0.00 39.78 38.62 1d5v n ASN 90 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1d5v n GLY 91 N 2.94 1.55 0.10 7.41 0.00 -1.26 -4.23 105.19 111.70 1d5v n GLY 91 Ca -0.00 -0.32 0.11 0.00 0.00 0.00 0.00 46.02 45.81 1d5v n GLY 91 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1d5v n SER 92 N 2.93 0.55 -4.14 1.61 2.88 -1.26 -4.79 113.62 111.39 1d5v n SER 92 Ca 0.12 0.63 -0.29 0.00 -1.33 0.00 0.00 58.87 57.99 1d5v n SER 92 Cb 0.24 -0.75 0.22 0.00 -0.75 0.00 0.00 64.21 63.17 1d5v n SER 92 CO 0.00 0.00 0.00 0.49 -1.23 0.00 0.00 175.04 174.30 1d5v n PHE 93 N -2.10 -1.81 0.88 0.66 3.72 -1.26 -5.23 117.46 112.31 1d5v n PHE 93 Ca 0.03 -0.12 0.07 0.00 -0.05 0.00 0.00 57.45 57.38 1d5v n PHE 93 Cb 0.24 -1.55 0.42 0.00 -0.94 0.00 0.00 39.48 37.64 1d5v n PHE 93 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 176.76 177.99