#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 4.40 0.13 3.17 1.43 -1.26 -5.10 118.68 121.45 1d5v s LEU 2 Ca 0.00 0.55 0.05 0.00 -1.03 0.00 0.00 54.13 53.71 1d5v s LEU 2 Cb 0.00 -2.27 -0.04 0.00 0.03 0.00 0.00 46.19 43.91 1d5v s LEU 2 CO 0.00 0.37 -0.12 0.68 0.23 0.00 0.00 176.35 177.51 1d5v s VAL 3 N -1.09 1.25 0.48 -1.59 -7.23 -1.26 -5.12 120.40 105.84 1d5v s VAL 3 Ca 0.19 -1.87 -0.19 0.00 -1.81 0.00 0.00 61.98 58.31 1d5v s VAL 3 Cb -0.13 -1.66 -0.09 0.00 0.56 0.00 0.00 36.38 35.07 1d5v s VAL 3 CO 0.08 -0.57 0.98 -0.54 -0.31 0.00 0.00 175.10 174.74 1d5v s LYS 4 N -3.14 4.02 0.74 4.82 3.01 -1.26 -4.96 119.74 122.97 1d5v s LYS 4 Ca 0.12 1.07 -0.11 0.00 -1.01 0.00 0.00 55.97 56.05 1d5v s LYS 4 Cb -0.02 -2.15 0.03 0.00 -1.01 0.00 0.00 37.83 34.69 1d5v s LYS 4 CO 0.02 -0.21 1.08 -1.25 0.51 0.00 0.00 175.35 175.50 1d5v s PRO 5 N -3.63 2.56 0.00 -1.68 0.04 -1.26 -4.91 135.00 126.12 1d5v s PRO 5 Ca 0.61 1.07 0.00 0.00 0.04 0.00 0.00 61.00 62.72 1d5v s PRO 5 Cb -0.10 -1.94 0.00 0.00 0.04 0.00 0.00 34.50 32.50 1d5v s PRO 5 CO 0.23 -1.40 0.39 -0.35 0.04 0.00 0.00 177.00 175.91 1d5v n PRO 6 N -3.35 0.71 -3.63 0.56 -0.04 -1.26 -4.82 135.00 123.18 1d5v n PRO 6 Ca 0.08 0.00 -0.37 0.00 -0.04 0.00 0.00 63.50 63.17 1d5v n PRO 6 Cb 0.53 -1.34 -0.06 0.00 -0.04 0.00 0.00 33.50 32.59 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 -0.88 3.63 0.85 0.54 2.02 -1.26 -5.08 117.35 117.17 1d5v s TYR 7 Ca 0.00 0.76 -0.12 0.00 -0.37 0.00 0.00 57.07 57.34 1d5v s TYR 7 Cb 0.00 -2.19 0.10 0.00 -0.40 0.00 0.00 41.96 39.46 1d5v s TYR 7 CO 0.00 0.58 1.10 -1.54 -1.57 0.00 0.00 175.55 174.12 1d5v s SER 8 N -0.71 4.03 0.25 2.29 1.04 -1.26 -4.78 113.70 114.55 1d5v s SER 8 Ca 0.19 1.31 -0.06 0.00 0.48 0.00 0.00 55.95 57.88 1d5v s SER 8 Cb -0.14 -2.01 0.26 0.00 0.10 0.00 0.00 66.02 64.22 1d5v s SER 8 CO 0.08 -2.27 1.93 1.88 0.98 0.00 0.00 173.24 175.85 1d5v h TYR 9 N -1.29 1.27 -0.48 5.02 0.05 -1.99 -1.14 116.97 118.41 1d5v h TYR 9 Ca -0.48 0.03 -0.14 0.00 0.05 0.00 0.00 58.73 58.19 1d5v h TYR 9 Cb 1.28 -0.43 -0.01 0.00 1.01 0.00 0.00 36.73 38.58 1d5v h TYR 9 CO 0.43 0.80 -0.23 0.82 -1.05 0.00 0.00 178.16 178.92 1d5v h ILE 10 N 1.37 1.27 -0.67 -2.88 2.04 -1.97 -2.47 117.51 114.18 1d5v h ILE 10 Ca 0.37 -1.40 -0.03 0.00 1.00 0.00 0.00 64.86 64.80 1d5v h ILE 10 Cb -0.16 1.14 -0.03 0.00 -0.74 0.00 0.00 36.82 37.04 1d5v h ILE 10 CO -0.08 0.48 0.31 0.00 0.00 0.00 0.00 178.15 178.86 1d5v h ALA 11 N 0.87 0.87 -0.96 1.87 0.00 -1.74 0.20 119.26 120.36 1d5v h ALA 11 Ca 0.11 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 1d5v h ALA 11 Cb 0.82 -0.27 -0.05 0.00 0.00 0.00 0.00 17.79 18.29 1d5v h ALA 11 CO 0.07 0.45 0.59 -0.07 0.00 0.00 0.00 179.25 180.28 1d5v h LEU 12 N 0.94 1.14 -0.29 0.00 3.38 -1.09 0.14 115.31 119.52 1d5v h LEU 12 Ca 0.23 -0.06 -0.13 0.00 0.09 0.00 0.00 57.88 58.00 1d5v h LEU 12 Cb 0.14 -0.29 -0.00 0.00 0.09 0.00 0.00 40.66 40.60 1d5v h LEU 12 CO -0.03 0.87 -0.33 0.40 0.09 0.00 0.00 178.44 179.44 1d5v h ILE 13 N 1.32 1.30 -0.57 1.22 2.04 -0.92 -0.83 117.51 121.08 1d5v h ILE 13 Ca 0.34 -1.51 -0.08 0.00 1.00 0.00 0.00 64.86 64.62 1d5v h ILE 13 Cb -0.07 1.59 -0.02 0.00 -0.74 0.00 0.00 36.82 37.57 1d5v h ILE 13 CO -0.07 0.49 0.05 0.74 0.00 0.00 0.00 178.15 179.36 1d5v h THR 14 N 0.50 1.26 -0.15 -0.27 2.02 -0.12 -2.70 112.91 113.45 1d5v h THR 14 Ca 0.04 -1.05 -0.13 0.00 0.77 0.00 0.00 66.41 66.05 1d5v h THR 14 Cb 0.91 0.83 -0.01 0.00 -1.74 0.00 0.00 68.15 68.14 1d5v h THR 14 CO 0.08 0.38 -0.46 0.24 0.37 0.00 0.00 175.52 176.13 1d5v h MET 15 N 0.85 0.36 -0.34 6.66 2.86 -0.71 -2.96 114.93 121.66 1d5v h MET 15 Ca 0.17 -0.20 0.00 0.00 -2.06 0.00 0.00 59.70 57.61 1d5v h MET 15 Cb 0.47 0.01 -0.02 0.00 0.06 0.00 0.00 31.60 32.13 1d5v h MET 15 CO 0.02 0.75 0.22 0.00 1.06 0.00 0.00 176.91 178.97 1d5v h ALA 16 N 1.22 0.43 -0.41 6.32 0.00 -0.86 -1.06 119.26 124.90 1d5v h ALA 16 Ca 0.02 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 1d5v h ALA 16 Cb 0.93 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.56 1d5v h ALA 16 CO 0.08 -0.10 0.21 0.82 0.00 0.00 0.00 179.25 180.25 1d5v h ILE 17 N 0.46 1.17 -0.55 0.00 2.04 -1.43 -1.66 117.51 117.54 1d5v h ILE 17 Ca 0.12 -0.45 -0.03 0.00 1.00 0.00 0.00 64.86 65.50 1d5v h ILE 17 Cb -0.05 0.71 -0.02 0.00 -0.74 0.00 0.00 36.82 36.72 1d5v h ILE 17 CO -0.03 0.18 0.22 1.56 0.00 0.00 0.00 178.15 180.08 1d5v h GLN 18 N 0.52 0.82 -0.39 2.37 4.20 -1.32 -2.59 115.11 118.72 1d5v h GLN 18 Ca 0.14 -0.15 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1d5v h GLN 18 Cb 0.09 -0.13 0.00 0.00 0.30 0.00 0.00 27.48 27.74 1d5v h GLN 18 CO -0.02 0.71 0.00 0.27 -0.67 0.00 0.00 178.83 179.12 1d5v n ASN 19 N -4.51 2.04 -4.81 1.46 2.04 -0.43 -4.90 115.26 106.15 1d5v n ASN 19 Ca 0.03 -2.02 -0.34 0.00 -0.44 0.00 0.00 54.58 51.81 1d5v n ASN 19 Cb 0.16 -0.26 -0.04 0.00 -2.53 0.00 0.00 39.78 37.10 1d5v n ASN 19 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 1d5v s ALA 20 N -1.51 2.93 0.60 -2.53 0.00 -0.63 -4.90 121.76 115.70 1d5v s ALA 20 Ca 0.25 0.51 0.30 0.00 0.00 0.00 0.00 51.96 53.02 1d5v s ALA 20 Cb 0.13 -3.21 1.75 0.00 0.00 0.00 0.00 23.12 21.79 1d5v s ALA 20 CO 0.17 -0.19 2.15 -1.00 0.00 0.00 0.00 175.76 176.89 1d5v h PRO 21 N 1.59 0.00 -3.91 0.00 0.13 -1.90 -3.41 132.00 124.50 1d5v h PRO 21 Ca -0.49 0.00 -0.19 0.00 -0.87 0.00 0.00 66.00 64.45 1d5v h PRO 21 Cb 1.21 0.00 -0.23 0.00 0.13 0.00 0.00 31.00 32.10 1d5v h PRO 21 CO 0.60 0.00 -0.71 -2.00 -0.23 0.00 0.00 178.00 175.66 1d5v s GLU 22 N -4.58 0.21 0.26 0.86 2.12 -1.26 -5.04 118.70 111.27 1d5v s GLU 22 Ca -0.05 -0.40 -0.05 0.00 0.36 0.00 0.00 54.97 54.83 1d5v s GLU 22 Cb 0.15 0.06 0.30 0.00 0.26 0.00 0.00 34.13 34.90 1d5v s GLU 22 CO 0.53 -0.03 1.94 0.87 -0.54 0.00 0.00 175.26 178.02 1d5v h LYS 23 N 5.16 1.27 -6.40 4.30 1.79 -1.82 -3.40 116.57 117.48 1d5v h LYS 23 Ca -0.29 -0.08 -0.54 0.00 -2.18 0.00 0.00 60.65 57.56 1d5v h LYS 23 Cb 1.21 -0.29 -0.02 0.00 -1.58 0.00 0.00 32.23 31.55 1d5v h LYS 23 CO 0.44 0.84 0.43 0.15 -1.08 0.00 0.00 179.45 180.23 1d5v s LYS 24 N -6.08 4.52 -0.08 3.15 1.02 -1.26 -4.73 119.74 116.29 1d5v s LYS 24 Ca -0.13 1.47 -0.11 0.00 0.02 0.00 0.00 55.97 57.23 1d5v s LYS 24 Cb 0.18 -3.46 0.02 0.00 -0.52 0.00 0.00 37.83 34.06 1d5v s LYS 24 CO 0.81 -0.12 0.27 -1.50 -0.92 0.00 0.00 175.35 173.90 1d5v s ILE 25 N 1.16 0.02 0.68 2.17 2.07 -0.96 -4.97 121.20 121.37 1d5v s ILE 25 Ca 0.53 -0.17 -0.11 0.00 -1.41 0.00 0.00 60.65 59.48 1d5v s ILE 25 Cb -0.22 -0.44 -0.00 0.00 0.13 0.00 0.00 42.46 41.92 1d5v s ILE 25 CO 0.27 -0.09 1.08 0.42 -1.91 0.00 0.00 174.94 174.70 1d5v s THR 26 N -0.32 3.85 0.24 4.00 -4.23 -1.26 -1.34 115.64 116.58 1d5v s THR 26 Ca -0.04 0.60 -0.07 0.00 -1.18 0.00 0.00 61.69 60.99 1d5v s THR 26 Cb -0.03 -3.59 0.23 0.00 1.34 0.00 0.00 72.50 70.45 1d5v s THR 26 CO 0.01 -0.78 1.92 0.25 -0.54 0.00 0.00 174.62 175.47 1d5v h LEU 27 N -0.55 1.08 -0.95 4.79 5.85 -1.96 -1.93 115.31 121.64 1d5v h LEU 27 Ca -0.45 -0.03 -0.00 0.00 0.84 0.00 0.00 57.88 58.25 1d5v h LEU 27 Cb 1.23 -0.27 -0.05 0.00 0.37 0.00 0.00 40.66 41.95 1d5v h LEU 27 CO 0.63 0.78 0.59 0.78 -0.34 0.00 0.00 178.44 180.88 1d5v h ASN 28 N 1.27 1.12 -1.00 1.25 2.35 -1.93 -2.41 115.58 116.23 1d5v h ASN 28 Ca 0.35 -0.06 0.01 0.00 -0.55 0.00 0.00 56.30 56.05 1d5v h ASN 28 Cb -0.14 -0.28 -0.05 0.00 0.05 0.00 0.00 38.32 37.90 1d5v h ASN 28 CO -0.08 0.85 0.66 1.23 -1.65 0.00 0.00 177.43 178.44 1d5v h GLY 29 N 1.30 1.42 1.01 2.83 0.00 -1.72 -2.47 103.07 105.44 1d5v h GLY 29 Ca 0.34 -0.53 0.00 0.00 0.00 0.00 0.00 47.33 47.14 1d5v h GLY 29 CO -0.07 0.52 0.59 -2.22 0.00 0.00 0.00 176.54 175.37 1d5v h ILE 30 N 1.36 1.25 -1.01 2.60 2.04 -1.18 -2.47 117.51 120.11 1d5v h ILE 30 Ca 0.37 -0.51 0.01 0.00 1.00 0.00 0.00 64.86 65.73 1d5v h ILE 30 Cb -0.15 -0.11 -0.05 0.00 -0.74 0.00 0.00 36.82 35.77 1d5v h ILE 30 CO -0.08 0.25 0.67 1.88 0.00 0.00 0.00 178.15 180.87 1d5v h TYR 31 N 1.29 1.27 -1.01 1.37 0.05 -1.35 -2.20 116.97 116.38 1d5v h TYR 31 Ca 0.34 0.03 0.01 0.00 0.05 0.00 0.00 58.73 59.16 1d5v h TYR 31 Cb -0.10 -0.43 -0.05 0.00 1.01 0.00 0.00 36.73 37.16 1d5v h TYR 31 CO 0.00 0.80 0.67 1.96 -1.05 0.00 0.00 178.16 180.54 1d5v h GLN 32 N 1.37 1.33 -0.01 4.88 1.08 -1.37 -2.81 115.11 119.57 1d5v h GLN 32 Ca 0.37 -0.08 0.00 0.00 -1.45 0.00 0.00 58.65 57.49 1d5v h GLN 32 Cb -0.16 -0.30 -0.00 0.00 -0.05 0.00 0.00 27.48 26.97 1d5v h GLN 32 CO -0.08 0.88 0.01 0.35 -0.95 0.00 0.00 178.83 179.04 1d5v h PHE 33 N 1.37 0.01 -0.01 2.96 3.57 -1.30 -2.58 116.94 120.96 1d5v h PHE 33 Ca 0.37 0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.87 1d5v h PHE 33 Cb -0.16 -0.00 -0.00 0.00 2.79 0.00 0.00 35.95 38.58 1d5v h PHE 33 CO -0.00 0.01 0.00 0.82 -2.23 0.00 0.00 178.31 176.91 1d5v h ILE 34 N 0.01 1.03 -0.98 1.41 2.04 -1.34 -1.82 117.51 117.85 1d5v h ILE 34 Ca 0.00 -0.08 0.00 0.00 1.00 0.00 0.00 64.86 65.78 1d5v h ILE 34 Cb -0.00 1.08 -0.05 0.00 -0.74 0.00 0.00 36.82 37.11 1d5v h ILE 34 CO -0.00 0.02 0.63 0.24 0.00 0.00 0.00 178.15 179.04 1d5v h MET 35 N -0.03 1.31 -0.07 2.37 2.86 -1.50 0.40 114.93 120.27 1d5v h MET 35 Ca 0.00 -0.09 -0.02 0.00 -2.06 0.00 0.00 59.70 57.53 1d5v h MET 35 Cb 0.03 -0.29 -0.00 0.00 0.06 0.00 0.00 31.60 31.40 1d5v h MET 35 CO -0.00 0.89 -0.01 -0.44 1.06 0.00 0.00 176.91 178.40 1d5v h ASP 36 N 1.34 0.14 -0.38 1.22 3.32 -1.30 -2.99 116.42 117.78 1d5v h ASP 36 Ca 0.36 -0.36 -0.16 0.00 0.02 0.00 0.00 57.03 56.89 1d5v h ASP 36 Cb -0.12 -0.04 -0.01 0.00 0.22 0.00 0.00 39.33 39.39 1d5v h ASP 36 CO -0.07 0.47 -0.41 0.03 -1.72 0.00 0.00 179.24 177.53 1d5v h ARG 37 N -0.18 0.94 -2.86 3.56 2.47 -1.18 -3.38 114.38 113.75 1d5v h ARG 37 Ca 0.02 -0.51 -0.61 0.00 -1.26 0.00 0.00 59.98 57.62 1d5v h ARG 37 Cb 0.40 0.02 -0.41 0.00 -1.65 0.00 0.00 29.97 28.34 1d5v h ARG 37 CO 0.01 1.16 -0.70 -0.06 0.56 0.00 0.00 179.97 180.94 1d5v s PHE 38 N -4.36 2.75 -0.46 3.04 0.08 0.12 -4.96 117.98 114.19 1d5v s PHE 38 Ca -0.11 -3.00 0.00 0.00 0.12 0.00 0.00 56.93 53.94 1d5v s PHE 38 Cb 0.11 -2.12 0.00 0.00 -0.57 0.00 0.00 43.02 40.44 1d5v s PHE 38 CO 0.88 -0.64 0.72 -2.30 -0.10 0.00 0.00 175.22 173.78 1d5v n PRO 39 N 2.29 0.00 -0.22 0.24 -0.02 -1.13 -1.92 135.00 134.24 1d5v n PRO 39 Ca 0.23 0.22 0.00 0.00 -2.02 0.00 0.00 63.50 61.93 1d5v n PRO 39 Cb 0.39 -1.77 0.24 0.00 -0.02 0.00 0.00 33.50 32.34 1d5v n PRO 39 CO 0.00 0.00 0.00 0.74 1.98 0.00 0.00 175.50 178.22 1d5v h PHE 40 N 0.00 0.95 0.00 6.00 0.04 -1.91 -1.87 116.94 120.14 1d5v h PHE 40 Ca 0.00 0.02 -0.08 0.00 2.80 0.00 0.00 57.97 60.71 1d5v h PHE 40 Cb 0.54 -0.32 -0.01 0.00 2.20 0.00 0.00 35.95 38.36 1d5v h PHE 40 CO 0.00 0.61 -0.37 1.88 -0.60 0.00 0.00 178.31 179.83 1d5v h TYR 41 N 1.02 0.00 -1.01 -0.55 -1.99 -1.66 -2.81 116.97 109.98 1d5v h TYR 41 Ca 0.28 0.00 0.03 0.00 2.00 0.00 0.00 58.73 61.04 1d5v h TYR 41 Cb -0.11 0.00 -0.06 0.00 2.00 0.00 0.00 36.73 38.56 1d5v h TYR 41 CO 0.00 0.37 0.66 0.00 -0.00 0.00 0.00 178.16 179.19 1d5v h ARG 42 N 0.00 1.25 -0.55 4.88 3.08 -1.53 -1.15 114.38 120.36 1d5v h ARG 42 Ca -0.00 -0.08 -0.12 0.00 0.07 0.00 0.00 59.98 59.85 1d5v h ARG 42 Cb 0.74 -0.28 -0.02 0.00 0.08 0.00 0.00 29.97 30.49 1d5v h ARG 42 CO 0.05 0.83 -0.12 0.93 -1.07 0.00 0.00 179.97 180.59 1d5v h GLU 43 N 1.29 1.05 -4.14 0.04 5.08 -1.55 -3.37 114.58 112.97 1d5v h GLU 43 Ca 0.40 -0.39 -0.76 0.00 -1.00 0.00 0.00 59.36 57.61 1d5v h GLU 43 Cb -0.02 -0.06 -0.24 0.00 0.50 0.00 0.00 28.75 28.93 1d5v h GLU 43 CO -0.12 1.09 -0.24 -0.80 -1.00 0.00 0.00 179.01 177.94 1d5v s ASN 44 N -6.66 6.18 0.00 1.42 0.01 -0.43 -4.95 114.94 110.51 1d5v s ASN 44 Ca -0.12 -1.69 0.00 0.00 -0.71 0.00 0.00 52.86 50.34 1d5v s ASN 44 Cb 0.13 -2.21 0.00 0.00 0.41 0.00 0.00 41.25 39.58 1d5v s ASN 44 CO 0.87 -0.82 0.00 0.29 -1.51 0.00 0.00 177.10 175.93 1d5v n LYS 45 N 5.26 0.00 -1.78 -0.60 5.02 -1.24 -4.70 118.16 120.12 1d5v n LYS 45 Ca -0.14 0.03 -0.41 0.00 -2.02 0.00 0.00 58.31 55.78 1d5v n LYS 45 Cb 0.41 -0.31 -0.00 0.00 -0.02 0.00 0.00 35.03 35.11 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 -0.13 4.09 0.00 1.97 -1.52 -1.26 -3.49 119.66 119.31 1d5v s GLN 46 Ca 0.00 2.60 0.00 0.00 -1.95 0.00 0.00 55.36 56.01 1d5v s GLN 46 Cb 0.00 -2.96 0.00 0.00 -0.22 0.00 0.00 33.01 29.83 1d5v s GLN 46 CO 0.00 -0.56 0.00 0.41 -0.25 0.00 0.00 175.29 174.89 1d5v n GLY 47 N 0.43 3.01 0.01 3.09 0.00 -1.26 -4.80 105.19 105.67 1d5v n GLY 47 Ca 0.01 -0.87 0.12 0.00 0.00 0.00 0.00 46.02 45.28 1d5v n GLY 47 CO 0.00 0.00 0.00 -2.67 0.00 0.00 0.00 173.32 170.65 1d5v n TRP 48 N 0.00 0.06 0.13 1.61 4.27 -1.23 -4.03 117.44 118.24 1d5v n TRP 48 Ca 0.00 0.02 -0.12 0.00 -3.89 0.00 0.00 57.50 53.50 1d5v n TRP 48 Cb 0.00 -0.30 -0.08 0.00 -1.36 0.00 0.00 31.31 29.57 1d5v n TRP 48 CO 0.00 0.00 0.00 1.96 -2.29 0.00 0.00 177.69 177.36 1d5v h GLN 49 N 0.00 -0.34 -0.32 -2.67 4.20 -1.87 -3.06 115.11 111.05 1d5v h GLN 49 Ca 0.00 0.02 -0.07 0.00 0.06 0.00 0.00 58.65 58.66 1d5v h GLN 49 Cb 0.53 0.08 -0.02 0.00 0.30 0.00 0.00 27.48 28.37 1d5v h GLN 49 CO 0.00 0.01 -0.09 -0.91 -0.67 0.00 0.00 178.83 177.17 1d5v h ASN 50 N -0.78 0.52 -0.86 1.46 -0.26 -1.92 -2.91 115.58 110.82 1d5v h ASN 50 Ca -0.04 -0.13 0.02 0.00 -0.56 0.00 0.00 56.30 55.59 1d5v h ASN 50 Cb 0.51 -0.14 -0.05 0.00 -1.06 0.00 0.00 38.32 37.58 1d5v h ASN 50 CO 0.06 0.66 0.57 0.77 -1.06 0.00 0.00 177.43 178.42 1d5v h SER 51 N 0.50 0.96 0.00 5.81 4.64 -1.69 0.82 113.55 124.60 1d5v h SER 51 Ca 0.10 -0.02 -0.00 0.00 -0.47 0.00 0.00 61.79 61.40 1d5v h SER 51 Cb 0.47 -0.23 0.00 0.00 -0.31 0.00 0.00 62.40 62.33 1d5v h SER 51 CO 0.03 0.69 -0.00 0.40 -0.87 0.00 0.00 176.83 177.07 1d5v h ILE 52 N 1.13 1.00 -0.18 0.95 1.08 -1.40 -0.26 117.51 119.84 1d5v h ILE 52 Ca 0.33 -0.02 -0.20 0.00 -0.39 0.00 0.00 64.86 64.58 1d5v h ILE 52 Cb -0.08 1.01 0.00 0.00 -3.07 0.00 0.00 36.82 34.68 1d5v h ILE 52 CO -0.09 0.00 -0.70 0.03 -0.69 0.00 0.00 178.15 176.71 1d5v h ARG 53 N -0.01 0.74 -1.01 2.37 3.08 -1.45 -2.81 114.38 115.29 1d5v h ARG 53 Ca -0.00 -0.56 0.01 0.00 0.07 0.00 0.00 59.98 59.50 1d5v h ARG 53 Cb 0.01 0.10 -0.05 0.00 0.08 0.00 0.00 29.97 30.11 1d5v h ARG 53 CO 0.00 1.17 0.67 1.25 -1.07 0.00 0.00 179.97 181.99 1d5v h HIS 54 N 0.52 1.27 -0.66 3.04 2.76 0.83 -1.78 115.15 121.13 1d5v h HIS 54 Ca -0.03 0.03 -0.09 0.00 -2.20 0.00 0.00 60.37 58.08 1d5v h HIS 54 Cb 1.31 -0.43 -0.02 0.00 1.55 0.00 0.00 27.41 29.81 1d5v h HIS 54 CO 0.07 0.80 0.07 -0.91 -1.30 0.00 0.00 177.93 176.66 1d5v h ASN 55 N 1.37 1.08 -0.33 3.26 2.35 -0.99 -2.80 115.58 119.52 1d5v h ASN 55 Ca 0.37 -0.28 0.00 0.00 -0.55 0.00 0.00 56.30 55.84 1d5v h ASN 55 Cb -0.16 -0.29 -0.02 0.00 0.05 0.00 0.00 38.32 37.91 1d5v h ASN 55 CO -0.08 1.08 0.21 -0.07 -1.65 0.00 0.00 177.43 176.92 1d5v h LEU 56 N 1.03 0.39 -0.72 1.61 3.38 -1.08 -1.17 115.31 118.76 1d5v h LEU 56 Ca 0.19 -0.04 -0.07 0.00 0.09 0.00 0.00 57.88 58.06 1d5v h LEU 56 Cb 0.49 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 41.12 1d5v h LEU 56 CO 0.02 0.31 0.17 0.77 0.09 0.00 0.00 178.44 179.79 1d5v h SER 57 N 0.43 1.09 -0.33 -0.43 4.64 -1.37 -2.76 113.55 114.83 1d5v h SER 57 Ca 0.12 -0.24 -0.10 0.00 -0.47 0.00 0.00 61.79 61.10 1d5v h SER 57 Cb -0.02 -0.29 -0.02 0.00 -0.31 0.00 0.00 62.40 61.77 1d5v h SER 57 CO -0.02 1.04 -0.15 -0.07 -0.87 0.00 0.00 176.83 176.75 1d5v h LEU 58 N 1.08 0.78 -8.74 5.97 3.38 -1.30 -3.40 115.31 113.08 1d5v h LEU 58 Ca 0.22 -0.25 -0.56 0.00 0.09 0.00 0.00 57.88 57.38 1d5v h LEU 58 Cb 0.39 -0.21 -0.07 0.00 0.09 0.00 0.00 40.66 40.85 1d5v h LEU 58 CO 0.00 0.94 0.93 0.20 0.09 0.00 0.00 178.44 180.60 1d5v s ASN 59 N -6.72 6.65 0.00 -0.43 0.01 -0.46 -4.84 114.94 109.15 1d5v s ASN 59 Ca -0.09 0.52 0.25 0.00 -0.71 0.00 0.00 52.86 52.83 1d5v s ASN 59 Cb 0.13 -2.55 0.59 0.00 0.41 0.00 0.00 41.25 39.83 1d5v s ASN 59 CO 0.83 -1.23 1.47 -0.62 -1.51 0.00 0.00 177.10 176.03 1d5v n GLU 60 N 7.78 0.23 -0.38 -0.60 1.02 -1.26 -3.87 120.64 123.56 1d5v n GLU 60 Ca 0.12 -0.13 -0.02 0.00 -0.02 0.00 0.00 57.16 57.11 1d5v n GLU 60 Cb 0.49 -1.50 0.11 0.00 -0.02 0.00 0.00 31.44 30.52 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 -6.12 3.54 -0.21 0.00 0.08 -1.25 -4.31 117.98 109.71 1d5v s PHE 62 Ca -0.13 1.59 -0.09 0.00 0.12 0.00 0.00 56.93 58.42 1d5v s PHE 62 Cb 0.18 -3.19 -0.04 0.00 -0.57 0.00 0.00 43.02 39.39 1d5v s PHE 62 CO 0.82 -0.29 0.10 0.08 -0.10 0.00 0.00 175.22 175.83 1d5v s VAL 63 N 1.55 4.96 -0.31 -0.44 1.01 -1.01 -4.98 120.40 121.18 1d5v s VAL 63 Ca 0.51 0.03 -0.14 0.00 0.00 0.00 0.00 61.98 62.39 1d5v s VAL 63 Cb -0.21 -3.27 -0.03 0.00 0.00 0.00 0.00 36.38 32.87 1d5v s VAL 63 CO 0.23 0.40 0.32 -1.59 0.00 0.00 0.00 175.10 174.47 1d5v s LYS 64 N 0.77 3.79 0.33 2.72 -2.85 -1.26 -2.75 119.74 120.49 1d5v s LYS 64 Ca 0.05 -0.26 -0.17 0.00 -1.00 0.00 0.00 55.97 54.60 1d5v s LYS 64 Cb -0.13 -3.73 -0.09 0.00 -2.06 0.00 0.00 37.83 31.82 1d5v s LYS 64 CO 0.02 -0.37 0.78 0.14 0.10 0.00 0.00 175.35 176.02 1d5v s VAL 65 N 1.96 4.61 0.00 1.79 -7.23 0.29 -4.89 120.40 116.94 1d5v s VAL 65 Ca 0.11 1.08 0.00 0.00 -1.81 0.00 0.00 61.98 61.37 1d5v s VAL 65 Cb -0.16 -3.63 0.00 0.00 0.56 0.00 0.00 36.38 33.14 1d5v s VAL 65 CO 0.11 -0.17 0.00 -0.81 -0.31 0.00 0.00 175.10 173.91 1d5v n PRO 66 N -0.32 1.99 -4.14 4.82 -0.04 -1.26 -1.09 135.00 134.96 1d5v n PRO 66 Ca 0.04 0.00 -0.32 0.00 -0.04 0.00 0.00 63.50 63.17 1d5v n PRO 66 Cb 0.53 0.00 -0.07 0.00 -0.04 0.00 0.00 33.50 33.92 1d5v n PRO 66 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 1d5v s ARG 67 N 0.00 2.96 0.09 0.54 0.52 -1.26 -4.08 118.95 117.72 1d5v s ARG 67 Ca 0.00 -0.55 -0.00 0.00 -0.52 0.00 0.00 55.73 54.65 1d5v s ARG 67 Cb 0.00 -2.79 0.02 0.00 0.52 0.00 0.00 34.95 32.70 1d5v s ARG 67 CO 0.00 0.63 0.12 -3.47 0.02 0.00 0.00 175.30 172.60 1d5v n ASP 68 N 1.11 0.13 -0.38 0.23 -0.08 -1.26 -4.97 116.55 111.33 1d5v n ASP 68 Ca -0.13 -1.12 -0.02 0.00 -1.51 0.00 0.00 54.79 52.02 1d5v n ASP 68 Cb 0.52 -0.08 0.11 0.00 2.34 0.00 0.00 41.12 44.01 1d5v n ASP 68 CO 0.00 0.00 0.00 0.44 0.12 0.00 0.00 177.20 177.76 1d5v h ASP 69 N -0.10 1.16 -0.08 1.67 3.32 -2.08 -2.99 116.42 117.33 1d5v h ASP 69 Ca -0.04 -0.03 -0.54 0.00 0.02 0.00 0.00 57.03 56.43 1d5v h ASP 69 Cb 0.14 -0.29 -0.01 0.00 0.22 0.00 0.00 39.33 39.39 1d5v h ASP 69 CO 0.04 0.84 2.62 0.29 -1.72 0.00 0.00 179.24 181.31 1d5v n LYS 70 N -4.38 3.28 -2.68 3.56 5.02 -1.26 -4.90 118.16 116.80 1d5v n LYS 70 Ca 0.12 -1.95 -0.43 0.00 -2.02 0.00 0.00 58.31 54.03 1d5v n LYS 70 Cb 0.01 -2.57 -0.03 0.00 -0.02 0.00 0.00 35.03 32.43 1d5v n LYS 70 CO 0.00 0.00 0.00 -1.59 -0.52 0.00 0.00 177.40 175.29 1d5v s LYS 71 N 1.63 3.94 0.00 1.97 -2.85 -1.13 -4.90 119.74 118.40 1d5v s LYS 71 Ca 0.68 0.83 0.15 0.00 -1.00 0.00 0.00 55.97 56.64 1d5v s LYS 71 Cb 0.22 -3.79 0.60 0.00 -2.06 0.00 0.00 37.83 32.81 1d5v s LYS 71 CO -0.05 -1.00 1.43 -0.35 0.10 0.00 0.00 175.35 175.48 1d5v n PRO 72 N 7.02 1.53 -0.74 1.78 -0.04 -1.26 -4.91 135.00 138.39 1d5v n PRO 72 Ca 0.11 -0.81 0.00 0.00 -0.04 0.00 0.00 63.50 62.75 1d5v n PRO 72 Cb 0.48 -1.29 0.00 0.00 -0.04 0.00 0.00 33.50 32.64 1d5v n PRO 72 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1d5v n GLY 73 N 0.97 0.45 3.31 0.55 0.00 -1.26 -5.12 105.19 104.09 1d5v n GLY 73 Ca 0.13 -0.50 -0.18 0.00 0.00 0.00 0.00 46.02 45.47 1d5v n GLY 73 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1d5v s LYS 74 N -2.49 1.71 0.00 1.61 1.02 -1.26 -5.17 119.74 115.17 1d5v s LYS 74 Ca 0.00 -1.93 0.00 0.00 0.02 0.00 0.00 55.97 54.06 1d5v s LYS 74 Cb 0.00 0.34 0.00 0.00 -0.52 0.00 0.00 37.83 37.65 1d5v s LYS 74 CO 0.00 -0.64 0.00 0.41 -0.92 0.00 0.00 175.35 174.20 1d5v n GLY 75 N -0.57 -2.02 3.86 -3.33 0.00 -1.26 -5.01 105.19 96.86 1d5v n GLY 75 Ca 0.06 -1.45 -0.31 0.00 0.00 0.00 0.00 46.02 44.32 1d5v n GLY 75 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1d5v s SER 76 N -1.43 6.10 -0.04 1.61 0.01 -1.26 -4.86 113.70 113.83 1d5v s SER 76 Ca 0.00 1.45 -0.17 0.00 1.31 0.00 0.00 55.95 58.54 1d5v s SER 76 Cb 0.00 -2.47 -0.05 0.00 0.21 0.00 0.00 66.02 63.70 1d5v s SER 76 CO 0.00 -0.95 0.46 -0.31 0.41 0.00 0.00 173.24 172.85 1d5v s TYR 77 N -3.16 3.64 -0.13 2.43 1.51 -0.25 -4.19 117.35 117.21 1d5v s TYR 77 Ca 0.55 0.99 -0.03 0.00 -1.01 0.00 0.00 57.07 57.58 1d5v s TYR 77 Cb -0.11 -2.44 -0.03 0.00 -0.11 0.00 0.00 41.96 39.27 1d5v s TYR 77 CO 0.54 0.42 -0.04 -1.58 -1.11 0.00 0.00 175.55 173.79 1d5v s TRP 78 N -0.32 3.03 0.18 2.71 0.52 -0.45 -0.55 118.94 124.07 1d5v s TRP 78 Ca 0.25 -0.15 -0.16 0.00 0.02 0.00 0.00 56.10 56.07 1d5v s TRP 78 Cb -0.16 -1.88 0.02 0.00 -1.15 0.00 0.00 33.47 30.29 1d5v s TRP 78 CO 0.13 0.12 0.46 -0.08 0.02 0.00 0.00 176.95 177.60 1d5v s THR 79 N -0.07 0.04 0.86 2.01 -1.32 -1.11 -2.27 115.64 113.78 1d5v s THR 79 Ca 0.02 -0.86 -0.12 0.00 -1.21 0.00 0.00 61.69 59.52 1d5v s THR 79 Cb -0.13 -1.56 0.11 0.00 -1.51 0.00 0.00 72.50 69.41 1d5v s THR 79 CO 0.02 -0.19 1.15 -0.76 -2.21 0.00 0.00 174.62 172.64 1d5v s LEU 80 N -2.88 2.27 0.26 9.08 1.43 -1.26 -2.39 118.68 125.18 1d5v s LEU 80 Ca 0.10 0.91 -0.28 0.00 -1.03 0.00 0.00 54.13 53.82 1d5v s LEU 80 Cb 0.00 -3.33 -0.15 0.00 0.03 0.00 0.00 46.19 42.75 1d5v s LEU 80 CO -0.04 -2.22 0.81 -0.90 0.23 0.00 0.00 176.35 174.23 1d5v n ASP 81 N -3.54 0.26 -2.50 2.29 5.68 -1.26 -4.65 116.55 112.82 1d5v n ASP 81 Ca 0.07 1.15 0.00 0.00 -0.50 0.00 0.00 54.79 55.51 1d5v n ASP 81 Cb 0.60 -1.15 0.00 0.00 -1.14 0.00 0.00 41.12 39.42 1d5v n ASP 81 CO 0.00 0.00 0.00 -0.81 -1.33 0.00 0.00 177.20 175.06 1d5v n PRO 82 N 0.82 0.77 -2.52 0.11 -0.04 -1.26 -4.93 135.00 127.95 1d5v n PRO 82 Ca 0.13 0.00 -0.43 0.00 -0.04 0.00 0.00 63.50 63.16 1d5v n PRO 82 Cb 0.30 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.76 1d5v n PRO 82 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1d5v n ASP 83 N -1.07 5.18 -0.19 3.54 8.00 -1.26 -4.76 116.55 125.99 1d5v n ASP 83 Ca 0.00 -3.09 0.01 0.00 0.71 0.00 0.00 54.79 52.42 1d5v n ASP 83 Cb 0.00 -1.49 0.27 0.00 -0.02 0.00 0.00 41.12 39.88 1d5v n ASP 83 CO 0.00 0.00 0.00 -1.28 -0.39 0.00 0.00 177.20 175.53 1d5v h SER 84 N 6.08 0.81 -0.94 -2.24 0.87 -1.97 -1.96 113.55 114.19 1d5v h SER 84 Ca 0.37 -0.02 0.01 0.00 -1.23 0.00 0.00 61.79 60.92 1d5v h SER 84 Cb 0.69 -0.20 -0.05 0.00 -0.44 0.00 0.00 62.40 62.40 1d5v h SER 84 CO 1.52 0.59 0.62 0.22 -0.53 0.00 0.00 176.83 179.25 1d5v h TYR 85 N 0.96 1.18 0.00 2.24 5.03 -2.03 -0.61 116.97 123.73 1d5v h TYR 85 Ca 0.26 0.03 0.00 0.00 2.58 0.00 0.00 58.73 61.60 1d5v h TYR 85 Cb -0.11 -0.40 0.00 0.00 1.55 0.00 0.00 36.73 37.78 1d5v h TYR 85 CO 0.00 0.74 0.00 0.09 -1.32 0.00 0.00 178.16 177.67 1d5v n ASN 86 N -4.39 0.00 -4.55 -2.11 5.03 -0.74 -4.45 115.26 104.04 1d5v n ASN 86 Ca 0.11 0.24 -0.41 0.00 0.87 0.00 0.00 54.58 55.38 1d5v n ASN 86 Cb 0.02 -0.36 -0.03 0.00 -1.02 0.00 0.00 39.78 38.39 1d5v n ASN 86 CO 0.00 0.00 0.00 -0.04 -1.83 0.00 0.00 177.26 175.39 1d5v s MET 87 N -2.73 3.46 0.00 3.52 -1.94 -0.24 -4.77 119.30 116.61 1d5v s MET 87 Ca 0.11 -0.87 0.29 0.00 -1.71 0.00 0.00 55.69 53.50 1d5v s MET 87 Cb 0.09 -4.98 1.23 0.00 2.01 0.00 0.00 34.83 33.18 1d5v s MET 87 CO 0.23 -2.17 1.92 1.97 -0.01 0.00 0.00 175.02 176.96 1d5v n PHE 88 N 8.95 0.00 -2.45 -0.03 -1.74 -1.26 -4.82 117.46 116.11 1d5v n PHE 88 Ca 0.23 0.00 -0.34 0.00 -0.56 0.00 0.00 57.45 56.78 1d5v n PHE 88 Cb 0.50 -0.49 -0.02 0.00 1.52 0.00 0.00 39.48 40.99 1d5v n PHE 88 CO 0.00 0.00 0.00 -1.21 -0.56 0.00 0.00 176.76 174.99 1d5v s GLU 89 N -3.00 3.66 -0.01 3.97 0.41 -1.26 -4.98 118.70 117.50 1d5v s GLU 89 Ca 0.14 1.41 -0.30 0.00 -0.41 0.00 0.00 54.97 55.81 1d5v s GLU 89 Cb 0.19 -2.07 -0.04 0.00 -1.78 0.00 0.00 34.13 30.43 1d5v s GLU 89 CO 0.53 -0.56 1.16 1.21 -0.49 0.00 0.00 175.26 177.12 1d5v s ASN 90 N -1.97 7.11 0.06 -0.19 3.84 -1.26 -4.62 114.94 117.91 1d5v s ASN 90 Ca 0.68 1.86 0.00 0.00 0.21 0.00 0.00 52.86 55.61 1d5v s ASN 90 Cb -0.18 -2.57 0.00 0.00 -0.55 0.00 0.00 41.25 37.95 1d5v s ASN 90 CO 0.23 -0.49 0.00 0.61 -2.79 0.00 0.00 177.10 174.65 1d5v n GLY 91 N 3.23 -4.22 0.31 1.21 0.00 -1.26 -4.82 105.19 99.65 1d5v n GLY 91 Ca 0.09 -0.52 -0.04 0.00 0.00 0.00 0.00 46.02 45.55 1d5v n GLY 91 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1d5v h SER 92 N 1.58 0.86 -4.99 1.61 4.64 -1.96 -3.44 113.55 111.84 1d5v h SER 92 Ca 0.00 -0.15 -0.15 0.00 -0.47 0.00 0.00 61.79 61.01 1d5v h SER 92 Cb 0.00 -0.22 -0.20 0.00 -0.31 0.00 0.00 62.40 61.66 1d5v h SER 92 CO 0.00 0.82 -0.58 0.12 -0.87 0.00 0.00 176.83 176.33 1d5v s PHE 93 N -5.26 0.14 -1.06 4.77 2.19 -1.26 -5.14 117.98 112.36 1d5v s PHE 93 Ca -0.10 -0.33 0.00 0.00 0.33 0.00 0.00 56.93 56.83 1d5v s PHE 93 Cb 0.15 -0.11 0.00 0.00 -1.31 0.00 0.00 43.02 41.75 1d5v s PHE 93 CO 0.81 -0.26 0.27 1.28 1.83 0.00 0.00 175.22 179.15