#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 3.89 0.23 4.03 1.43 -1.26 -5.06 118.68 121.94 1d5v s LEU 2 Ca 0.00 1.96 0.00 0.00 -1.03 0.00 0.00 54.13 55.06 1d5v s LEU 2 Cb 0.00 -4.50 -0.04 0.00 0.03 0.00 0.00 46.19 41.68 1d5v s LEU 2 CO 0.00 -0.75 0.14 -0.69 0.23 0.00 0.00 176.35 175.29 1d5v s VAL 3 N -1.92 0.09 -0.39 -1.59 1.01 -1.26 -5.11 120.40 111.23 1d5v s VAL 3 Ca 0.66 -2.00 -0.22 0.00 0.00 0.00 0.00 61.98 60.41 1d5v s VAL 3 Cb -0.18 -2.52 0.01 0.00 0.00 0.00 0.00 36.38 33.70 1d5v s VAL 3 CO 0.21 0.00 0.75 -0.75 0.00 0.00 0.00 175.10 175.31 1d5v s LYS 4 N -4.06 3.64 -0.16 2.72 2.20 -1.26 -4.79 119.74 118.03 1d5v s LYS 4 Ca 0.39 0.13 -0.39 0.00 -0.36 0.00 0.00 55.97 55.74 1d5v s LYS 4 Cb 0.07 -3.85 -0.16 0.00 -1.51 0.00 0.00 37.83 32.38 1d5v s LYS 4 CO 0.14 -0.90 1.65 -2.30 -0.36 0.00 0.00 175.35 173.58 1d5v n PRO 5 N 6.40 1.25 0.00 4.03 -0.02 -1.26 -4.74 135.00 140.66 1d5v n PRO 5 Ca 0.02 0.46 0.00 0.00 -2.02 0.00 0.00 63.50 61.95 1d5v n PRO 5 Cb 0.48 -2.14 0.00 0.00 -0.02 0.00 0.00 33.50 31.82 1d5v n PRO 5 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 1d5v n PRO 6 N 4.69 0.00 -2.37 0.52 -0.02 -1.26 -4.60 135.00 131.96 1d5v n PRO 6 Ca 0.24 0.11 -0.38 0.00 -2.02 0.00 0.00 63.50 61.45 1d5v n PRO 6 Cb 0.16 -1.81 -0.03 0.00 -0.02 0.00 0.00 33.50 31.80 1d5v n PRO 6 CO 0.00 0.00 0.00 0.71 1.98 0.00 0.00 175.50 178.19 1d5v s TYR 7 N -2.09 3.14 0.76 6.00 2.02 -1.26 -5.03 117.35 120.90 1d5v s TYR 7 Ca 0.00 1.59 -0.10 0.00 -0.37 0.00 0.00 57.07 58.19 1d5v s TYR 7 Cb 0.00 -3.31 0.07 0.00 -0.40 0.00 0.00 41.96 38.32 1d5v s TYR 7 CO 0.00 -1.10 1.11 -1.12 -1.57 0.00 0.00 175.55 172.87 1d5v s SER 8 N -1.25 4.64 0.25 2.29 0.01 -1.26 -4.81 113.70 113.56 1d5v s SER 8 Ca 0.57 0.65 -0.06 0.00 1.31 0.00 0.00 55.95 58.41 1d5v s SER 8 Cb -0.28 -1.21 0.26 0.00 0.21 0.00 0.00 66.02 65.00 1d5v s SER 8 CO 0.35 -1.77 1.93 1.88 0.41 0.00 0.00 173.24 176.04 1d5v h TYR 9 N -0.86 1.26 -0.38 2.43 0.05 -1.96 -1.22 116.97 116.29 1d5v h TYR 9 Ca -0.45 0.03 -0.16 0.00 0.05 0.00 0.00 58.73 58.19 1d5v h TYR 9 Cb 1.32 -0.43 -0.01 0.00 1.01 0.00 0.00 36.73 38.63 1d5v h TYR 9 CO 0.32 0.80 -0.39 0.82 -1.05 0.00 0.00 178.16 178.66 1d5v h ILE 10 N 1.36 1.27 -0.22 -2.88 1.08 -1.98 -2.64 117.51 113.51 1d5v h ILE 10 Ca 0.37 -1.56 -0.00 0.00 -0.39 0.00 0.00 64.86 63.27 1d5v h ILE 10 Cb -0.15 1.38 -0.01 0.00 -3.07 0.00 0.00 36.82 34.97 1d5v h ILE 10 CO -0.08 0.52 0.12 0.00 -0.69 0.00 0.00 178.15 178.03 1d5v h ALA 11 N 0.78 0.28 -0.86 1.87 0.00 -1.76 0.42 119.26 119.99 1d5v h ALA 11 Ca 0.06 -0.06 0.01 0.00 0.00 0.00 0.00 54.91 54.92 1d5v h ALA 11 Cb 0.99 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.65 1d5v h ALA 11 CO 0.10 -0.19 0.57 -0.07 0.00 0.00 0.00 179.25 179.65 1d5v h LEU 12 N 0.25 0.99 -0.53 0.00 3.38 -1.23 0.42 115.31 118.58 1d5v h LEU 12 Ca 0.08 -0.03 -0.07 0.00 0.09 0.00 0.00 57.88 57.95 1d5v h LEU 12 Cb 0.06 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.54 1d5v h LEU 12 CO -0.01 0.72 0.08 0.40 0.09 0.00 0.00 178.44 179.71 1d5v h ILE 13 N 1.17 1.25 -0.87 1.22 2.04 -1.07 -0.11 117.51 121.15 1d5v h ILE 13 Ca 0.31 -0.97 -0.03 0.00 1.00 0.00 0.00 64.86 65.17 1d5v h ILE 13 Cb -0.13 0.85 -0.04 0.00 -0.74 0.00 0.00 36.82 36.76 1d5v h ILE 13 CO -0.07 0.35 0.44 0.74 0.00 0.00 0.00 178.15 179.61 1d5v h THR 14 N 0.78 1.26 -0.48 -0.27 2.02 0.10 -2.26 112.91 114.06 1d5v h THR 14 Ca 0.16 -0.71 -0.13 0.00 0.77 0.00 0.00 66.41 66.50 1d5v h THR 14 Cb 0.42 0.13 -0.01 0.00 -1.74 0.00 0.00 68.15 66.95 1d5v h THR 14 CO 0.01 0.31 -0.22 0.24 0.37 0.00 0.00 175.52 176.23 1d5v h MET 15 N 1.23 1.00 -0.29 6.66 2.86 0.20 -2.12 114.93 124.48 1d5v h MET 15 Ca 0.30 -0.43 0.03 0.00 -2.06 0.00 0.00 59.70 57.54 1d5v h MET 15 Cb 0.09 -0.03 -0.03 0.00 0.06 0.00 0.00 31.60 31.69 1d5v h MET 15 CO -0.04 1.11 0.11 0.00 1.06 0.00 0.00 176.91 179.15 1d5v h ALA 16 N 0.87 0.33 0.01 6.32 0.00 -0.58 0.82 119.26 127.03 1d5v h ALA 16 Ca 0.11 0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.04 1d5v h ALA 16 Cb 0.81 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.59 1d5v h ALA 16 CO 0.07 -0.29 -0.00 0.82 0.00 0.00 0.00 179.25 179.84 1d5v h ILE 17 N 0.24 1.04 -0.93 0.00 2.04 -1.34 0.75 117.51 119.32 1d5v h ILE 17 Ca 0.12 -0.13 -0.01 0.00 1.00 0.00 0.00 64.86 65.84 1d5v h ILE 17 Cb 0.08 1.12 -0.04 0.00 -0.74 0.00 0.00 36.82 37.24 1d5v h ILE 17 CO -0.12 0.03 0.54 1.56 0.00 0.00 0.00 178.15 180.16 1d5v h GLN 18 N -0.06 1.28 0.00 2.37 1.08 -0.93 0.15 115.11 119.00 1d5v h GLN 18 Ca -0.00 -0.13 0.00 0.00 -1.45 0.00 0.00 58.65 57.07 1d5v h GLN 18 Cb 0.06 -0.26 0.00 0.00 -0.05 0.00 0.00 27.48 27.23 1d5v h GLN 18 CO 0.00 0.91 0.00 0.09 -0.95 0.00 0.00 178.83 178.89 1d5v n ASN 19 N -4.34 0.00 -4.66 1.46 3.02 0.28 -4.70 115.26 106.32 1d5v n ASN 19 Ca 0.10 -0.32 -0.43 0.00 -0.03 0.00 0.00 54.58 53.90 1d5v n ASN 19 Cb 0.08 -0.21 -0.02 0.00 -0.61 0.00 0.00 39.78 39.02 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 -2.42 3.65 0.59 5.41 0.00 0.23 -4.87 121.76 124.35 1d5v s ALA 20 Ca 0.31 0.13 0.34 0.00 0.00 0.00 0.00 51.96 52.74 1d5v s ALA 20 Cb 0.19 -3.57 1.19 0.00 0.00 0.00 0.00 23.12 20.92 1d5v s ALA 20 CO 0.39 -1.13 1.40 -1.35 0.00 0.00 0.00 175.76 175.07 1d5v h PRO 21 N 7.58 0.00 -4.76 0.00 0.11 -1.84 -3.38 132.00 129.71 1d5v h PRO 21 Ca -0.19 0.00 -0.29 0.00 0.11 0.00 0.00 66.00 65.63 1d5v h PRO 21 Cb 1.06 0.00 -0.19 0.00 0.11 0.00 0.00 31.00 31.98 1d5v h PRO 21 CO 0.99 0.00 -0.73 -1.83 -0.21 0.00 0.00 178.00 176.22 1d5v s GLU 22 N -4.58 0.71 0.33 1.05 -1.05 -1.26 -5.05 118.70 108.86 1d5v s GLU 22 Ca -0.03 -1.03 0.09 0.00 -0.15 0.00 0.00 54.97 53.85 1d5v s GLU 22 Cb 0.18 -0.38 0.59 0.00 -0.44 0.00 0.00 34.13 34.08 1d5v s GLU 22 CO 0.60 0.05 1.78 0.87 0.95 0.00 0.00 175.26 179.51 1d5v h LYS 23 N 3.85 0.16 -6.21 -4.83 1.79 -1.84 -3.42 116.57 106.07 1d5v h LYS 23 Ca -0.36 -0.06 -0.56 0.00 -2.18 0.00 0.00 60.65 57.48 1d5v h LYS 23 Cb 1.19 -0.01 -0.04 0.00 -1.58 0.00 0.00 32.23 31.79 1d5v h LYS 23 CO 0.50 0.50 0.68 0.15 -1.08 0.00 0.00 179.45 180.20 1d5v s LYS 24 N -4.25 4.35 0.03 3.15 1.02 -1.26 -4.22 119.74 118.56 1d5v s LYS 24 Ca -0.04 1.45 -0.01 0.00 0.02 0.00 0.00 55.97 57.39 1d5v s LYS 24 Cb 0.14 -3.59 -0.03 0.00 -0.52 0.00 0.00 37.83 33.83 1d5v s LYS 24 CO 0.75 -0.46 -0.02 -1.50 -0.92 0.00 0.00 175.35 173.21 1d5v s ILE 25 N 2.50 0.15 0.44 2.17 2.07 -1.14 -4.86 121.20 122.54 1d5v s ILE 25 Ca 0.49 -1.23 -0.16 0.00 -1.41 0.00 0.00 60.65 58.34 1d5v s ILE 25 Cb -0.19 -0.74 -0.09 0.00 0.13 0.00 0.00 42.46 41.57 1d5v s ILE 25 CO 0.15 -0.68 0.90 0.42 -1.91 0.00 0.00 174.94 173.83 1d5v s THR 26 N -2.39 4.56 0.11 4.00 -4.23 -1.26 -0.27 115.64 116.15 1d5v s THR 26 Ca -0.07 1.15 -0.21 0.00 -1.18 0.00 0.00 61.69 61.37 1d5v s THR 26 Cb -0.03 -3.67 -0.11 0.00 1.34 0.00 0.00 72.50 70.02 1d5v s THR 26 CO -0.04 -0.49 1.76 0.25 -0.54 0.00 0.00 174.62 175.56 1d5v h LEU 27 N 1.44 0.11 -1.00 4.79 5.85 -1.94 -2.21 115.31 122.35 1d5v h LEU 27 Ca -0.48 -0.00 0.01 0.00 0.84 0.00 0.00 57.88 58.25 1d5v h LEU 27 Cb 1.18 -0.03 -0.05 0.00 0.37 0.00 0.00 40.66 42.13 1d5v h LEU 27 CO 0.62 0.08 0.66 0.78 -0.34 0.00 0.00 178.44 180.24 1d5v h ASN 28 N 0.13 1.14 -0.99 1.25 2.35 -1.95 -2.38 115.58 115.14 1d5v h ASN 28 Ca 0.03 -0.03 0.03 0.00 -0.55 0.00 0.00 56.30 55.79 1d5v h ASN 28 Cb -0.02 -0.28 -0.05 0.00 0.05 0.00 0.00 38.32 38.02 1d5v h ASN 28 CO -0.01 0.82 0.65 1.23 -1.65 0.00 0.00 177.43 178.48 1d5v h GLY 29 N 1.35 1.43 1.01 2.83 0.00 -1.80 -2.30 103.07 105.58 1d5v h GLY 29 Ca 0.37 -0.50 0.01 0.00 0.00 0.00 0.00 47.33 47.21 1d5v h GLY 29 CO -0.08 0.45 0.56 -2.22 0.00 0.00 0.00 176.54 175.25 1d5v h ILE 30 N 1.28 1.22 -0.47 2.60 2.04 -0.88 -2.51 117.51 120.79 1d5v h ILE 30 Ca 0.38 -0.40 0.00 0.00 1.00 0.00 0.00 64.86 65.85 1d5v h ILE 30 Cb -0.04 -0.03 -0.02 0.00 -0.74 0.00 0.00 36.82 35.98 1d5v h ILE 30 CO -0.11 0.21 0.31 1.88 0.00 0.00 0.00 178.15 180.44 1d5v h TYR 31 N 1.16 0.59 -0.65 1.37 0.05 -1.38 -2.57 116.97 115.53 1d5v h TYR 31 Ca 0.31 0.01 -0.02 0.00 0.05 0.00 0.00 58.73 59.08 1d5v h TYR 31 Cb -0.13 -0.20 -0.03 0.00 1.01 0.00 0.00 36.73 37.38 1d5v h TYR 31 CO -0.01 0.37 0.31 1.96 -1.05 0.00 0.00 178.16 179.74 1d5v h GLN 32 N 0.63 0.92 -0.10 4.88 1.08 -1.34 -2.91 115.11 118.27 1d5v h GLN 32 Ca 0.17 -0.12 0.00 0.00 -1.45 0.00 0.00 58.65 57.25 1d5v h GLN 32 Cb -0.07 -0.17 -0.00 0.00 -0.05 0.00 0.00 27.48 27.18 1d5v h GLN 32 CO -0.04 0.71 0.06 0.35 -0.95 0.00 0.00 178.83 178.97 1d5v h PHE 33 N 0.92 0.12 -0.00 2.96 3.04 -1.05 0.96 116.94 123.88 1d5v h PHE 33 Ca 0.23 0.00 0.00 0.00 3.98 0.00 0.00 57.97 62.18 1d5v h PHE 33 Cb 0.09 -0.04 -0.00 0.00 2.56 0.00 0.00 35.95 38.56 1d5v h PHE 33 CO 0.01 0.08 0.00 0.82 -2.02 0.00 0.00 178.31 177.20 1d5v h ILE 34 N 0.13 1.00 -0.66 1.41 2.04 -1.36 -0.66 117.51 119.42 1d5v h ILE 34 Ca 0.04 -0.01 -0.09 0.00 1.00 0.00 0.00 64.86 65.80 1d5v h ILE 34 Cb -0.01 1.00 -0.03 0.00 -0.74 0.00 0.00 36.82 37.04 1d5v h ILE 34 CO -0.01 0.00 0.08 0.24 0.00 0.00 0.00 178.15 178.46 1d5v h MET 35 N 0.00 1.11 -0.85 2.37 2.86 -1.41 0.17 114.93 119.18 1d5v h MET 35 Ca 0.00 -0.31 -0.03 0.00 -2.06 0.00 0.00 59.70 57.29 1d5v h MET 35 Cb 0.00 -0.12 -0.04 0.00 0.06 0.00 0.00 31.60 31.50 1d5v h MET 35 CO -0.00 1.03 0.40 -0.44 1.06 0.00 0.00 176.91 178.96 1d5v h ASP 36 N 1.03 1.12 0.00 1.22 3.32 -0.59 -3.33 116.42 119.19 1d5v h ASP 36 Ca 0.20 -0.14 -0.00 0.00 0.02 0.00 0.00 57.03 57.10 1d5v h ASP 36 Cb 0.48 -0.29 0.00 0.00 0.22 0.00 0.00 39.33 39.74 1d5v h ASP 36 CO 0.02 0.95 -0.00 0.03 -1.72 0.00 0.00 179.24 178.52 1d5v h ARG 37 N 1.21 -0.00 -5.57 3.56 2.47 -0.85 -3.44 114.38 111.77 1d5v h ARG 37 Ca 0.29 0.00 -0.62 0.00 -1.26 0.00 0.00 59.98 58.39 1d5v h ARG 37 Cb 0.13 0.00 -0.12 0.00 -1.65 0.00 0.00 29.97 28.33 1d5v h ARG 37 CO -0.03 -0.00 0.21 -0.06 0.56 0.00 0.00 179.97 180.65 1d5v s PHE 38 N -1.06 3.19 -1.62 3.04 0.08 0.56 -4.91 117.98 117.26 1d5v s PHE 38 Ca -0.00 0.58 0.31 0.00 0.12 0.00 0.00 56.93 57.93 1d5v s PHE 38 Cb 0.00 -3.10 1.60 0.00 -0.57 0.00 0.00 43.02 40.96 1d5v s PHE 38 CO 0.00 -0.55 2.09 -0.35 -0.10 0.00 0.00 175.22 176.31 1d5v n PRO 39 N 6.02 0.63 -0.36 0.24 -0.04 -1.25 -3.60 135.00 136.63 1d5v n PRO 39 Ca 0.00 -0.03 -0.02 0.00 -0.04 0.00 0.00 63.50 63.41 1d5v n PRO 39 Cb 0.49 -1.50 0.12 0.00 -0.04 0.00 0.00 33.50 32.57 1d5v n PRO 39 CO 0.00 0.00 0.00 0.35 -0.04 0.00 0.00 175.50 175.81 1d5v h PHE 40 N 0.07 1.24 0.00 0.54 3.57 -1.89 -1.56 116.94 118.91 1d5v h PHE 40 Ca 0.00 0.03 -0.07 0.00 3.53 0.00 0.00 57.97 61.45 1d5v h PHE 40 Cb 0.21 -0.42 -0.01 0.00 2.79 0.00 0.00 35.95 38.52 1d5v h PHE 40 CO 0.00 0.78 -0.35 1.88 -2.23 0.00 0.00 178.31 178.39 1d5v h TYR 41 N 1.33 0.00 -1.01 0.41 -1.99 -1.84 -2.86 116.97 111.02 1d5v h TYR 41 Ca 0.36 0.00 0.03 0.00 2.00 0.00 0.00 58.73 61.12 1d5v h TYR 41 Cb -0.15 0.00 -0.05 0.00 2.00 0.00 0.00 36.73 38.53 1d5v h TYR 41 CO 0.00 0.35 0.66 0.00 -0.00 0.00 0.00 178.16 179.18 1d5v h ARG 42 N 0.00 1.27 -0.86 4.88 3.08 -1.49 -1.01 114.38 120.25 1d5v h ARG 42 Ca -0.00 -0.08 -0.01 0.00 0.07 0.00 0.00 59.98 59.96 1d5v h ARG 42 Cb 0.77 -0.29 -0.04 0.00 0.08 0.00 0.00 29.97 30.49 1d5v h ARG 42 CO 0.05 0.84 0.49 1.49 -1.07 0.00 0.00 179.97 181.77 1d5v h GLU 43 N 1.31 1.18 -4.67 0.04 4.81 -1.50 -3.37 114.58 112.38 1d5v h GLU 43 Ca 0.39 -0.13 -0.69 0.00 -0.13 0.00 0.00 59.36 58.80 1d5v h GLU 43 Cb -0.06 -0.24 -0.31 0.00 0.63 0.00 0.00 28.75 28.77 1d5v h GLU 43 CO -0.11 0.85 -0.62 -0.80 -0.73 0.00 0.00 179.01 177.60 1d5v s ASN 44 N -6.14 5.19 -0.21 1.04 0.01 -0.39 -4.95 114.94 109.48 1d5v s ASN 44 Ca -0.13 -1.31 -0.02 0.00 -0.71 0.00 0.00 52.86 50.69 1d5v s ASN 44 Cb 0.16 -1.82 -0.20 0.00 0.41 0.00 0.00 41.25 39.80 1d5v s ASN 44 CO 0.82 -0.34 -0.03 0.29 -1.51 0.00 0.00 177.10 176.32 1d5v n LYS 45 N 4.73 0.68 -3.23 -0.60 5.02 -1.24 -4.69 118.16 118.83 1d5v n LYS 45 Ca -0.11 0.20 -0.37 0.00 -2.02 0.00 0.00 58.31 56.01 1d5v n LYS 45 Cb 0.44 -1.58 -0.06 0.00 -0.02 0.00 0.00 35.03 33.80 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 -2.53 4.17 0.00 1.97 -0.21 -1.26 -3.70 119.66 118.09 1d5v s GLN 46 Ca -0.31 0.72 0.00 0.00 0.02 0.00 0.00 55.36 55.79 1d5v s GLN 46 Cb 0.08 -3.03 0.00 0.00 1.00 0.00 0.00 33.01 31.06 1d5v s GLN 46 CO 0.65 0.51 0.00 0.41 -2.12 0.00 0.00 175.29 174.74 1d5v n GLY 47 N 1.11 2.96 0.31 3.09 0.00 -1.26 -4.72 105.19 106.68 1d5v n GLY 47 Ca -0.06 -0.79 0.14 0.00 0.00 0.00 0.00 46.02 45.30 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 0.00 0.10 1.61 4.27 -1.26 -3.85 117.44 118.31 1d5v n TRP 48 Ca 0.00 0.00 -0.05 0.00 -3.89 0.00 0.00 57.50 53.56 1d5v n TRP 48 Cb 0.00 -0.08 -0.02 0.00 -1.36 0.00 0.00 31.31 29.84 1d5v n TRP 48 CO 0.00 0.00 0.00 0.37 -2.29 0.00 0.00 177.69 175.77 1d5v h GLN 49 N 1.51 -0.32 -0.40 -2.67 5.75 -1.85 -3.29 115.11 113.84 1d5v h GLN 49 Ca 0.00 0.02 -0.16 0.00 -0.15 0.00 0.00 58.65 58.37 1d5v h GLN 49 Cb 0.47 0.07 -0.01 0.00 1.07 0.00 0.00 27.48 29.09 1d5v h GLN 49 CO 0.00 -0.22 -0.36 -0.91 -2.65 0.00 0.00 178.83 174.69 1d5v h ASN 50 N -0.92 1.01 -0.93 -0.69 4.21 -1.90 -3.09 115.58 113.27 1d5v h ASN 50 Ca -0.03 -0.45 0.26 0.00 1.21 0.00 0.00 56.30 57.28 1d5v h ASN 50 Cb 0.26 -0.28 -0.04 0.00 -1.12 0.00 0.00 38.32 37.13 1d5v h ASN 50 CO 0.06 1.25 0.65 0.28 -1.29 0.00 0.00 177.43 178.38 1d5v h SER 51 N 0.78 0.08 0.21 5.81 0.02 -1.72 0.49 113.55 119.23 1d5v h SER 51 Ca 0.07 0.01 -0.01 0.00 -0.84 0.00 0.00 61.79 61.02 1d5v h SER 51 Cb 0.96 -0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.49 1d5v h SER 51 CO 0.09 0.03 -0.10 0.40 -1.14 0.00 0.00 176.83 176.11 1d5v h ILE 52 N 0.08 0.00 -0.00 3.27 1.08 -1.60 -2.91 117.51 117.43 1d5v h ILE 52 Ca 0.45 -0.22 -0.10 0.00 -0.39 0.00 0.00 64.86 64.60 1d5v h ILE 52 Cb 1.66 0.00 -0.01 0.00 -3.07 0.00 0.00 36.82 35.40 1d5v h ILE 52 CO -0.05 0.00 -0.50 0.08 -0.69 0.00 0.00 178.15 177.00 1d5v h ARG 53 N -0.51 0.00 -0.28 2.37 0.11 -1.62 -2.88 114.38 111.57 1d5v h ARG 53 Ca -0.03 -0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.05 1d5v h ARG 53 Cb 0.22 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.29 1d5v h ARG 53 CO 0.05 0.50 0.19 1.25 0.10 0.00 0.00 179.97 182.05 1d5v h HIS 54 N 0.00 0.36 -0.67 4.08 2.76 -0.13 -1.26 115.15 120.29 1d5v h HIS 54 Ca -0.00 0.01 -0.01 0.00 -2.20 0.00 0.00 60.37 58.17 1d5v h HIS 54 Cb 0.88 -0.12 -0.03 0.00 1.55 0.00 0.00 27.41 29.69 1d5v h HIS 54 CO 0.00 0.22 0.39 -0.97 -1.30 0.00 0.00 177.93 176.28 1d5v h ASN 55 N 0.38 0.82 -0.84 3.26 -0.73 -1.38 -2.36 115.58 114.72 1d5v h ASN 55 Ca 0.10 -0.07 0.01 0.00 1.87 0.00 0.00 56.30 58.21 1d5v h ASN 55 Cb -0.04 -0.21 -0.04 0.00 0.27 0.00 0.00 38.32 38.30 1d5v h ASN 55 CO -0.02 0.65 0.56 -0.07 -0.37 0.00 0.00 177.43 178.17 1d5v h LEU 56 N 0.92 0.97 0.05 0.34 3.38 -1.22 0.40 115.31 120.15 1d5v h LEU 56 Ca 0.24 -0.02 -0.00 0.00 0.09 0.00 0.00 57.88 58.18 1d5v h LEU 56 Cb -0.01 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.50 1d5v h LEU 56 CO -0.04 0.70 -0.03 0.77 0.09 0.00 0.00 178.44 179.93 1d5v h SER 57 N 1.14 -0.06 -0.38 -0.43 4.64 -0.85 -3.15 113.55 114.47 1d5v h SER 57 Ca 0.31 -0.19 -0.16 0.00 -0.47 0.00 0.00 61.79 61.28 1d5v h SER 57 Cb -0.13 0.02 -0.01 0.00 -0.31 0.00 0.00 62.40 61.97 1d5v h SER 57 CO -0.07 0.15 -0.40 -0.07 -0.87 0.00 0.00 176.83 175.58 1d5v h LEU 58 N -0.27 1.00 -9.33 5.97 4.07 -1.27 -3.42 115.31 112.06 1d5v h LEU 58 Ca -0.01 -0.47 -0.54 0.00 0.08 0.00 0.00 57.88 56.94 1d5v h LEU 58 Cb 0.24 -0.28 0.00 0.00 1.08 0.00 0.00 40.66 41.70 1d5v h LEU 58 CO 0.01 1.27 1.03 0.20 -1.08 0.00 0.00 178.44 179.87 1d5v s ASN 59 N -6.85 6.67 0.01 -0.43 0.02 0.14 -4.85 114.94 109.65 1d5v s ASN 59 Ca -0.11 2.30 0.26 0.00 -1.02 0.00 0.00 52.86 54.29 1d5v s ASN 59 Cb 0.11 -2.55 0.78 0.00 0.02 0.00 0.00 41.25 39.61 1d5v s ASN 59 CO 0.88 -0.89 1.61 -0.62 0.02 0.00 0.00 177.10 178.10 1d5v n GLU 60 N 6.47 0.01 -0.35 -0.60 1.02 -1.26 -3.77 120.64 122.17 1d5v n GLU 60 Ca 0.16 0.01 -0.03 0.00 -0.02 0.00 0.00 57.16 57.27 1d5v n GLU 60 Cb 0.42 -1.51 0.09 0.00 -0.02 0.00 0.00 31.44 30.43 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 -5.90 3.60 -0.23 0.00 0.40 -1.25 -4.01 117.98 110.60 1d5v s PHE 62 Ca -0.13 1.50 -0.05 0.00 -0.60 0.00 0.00 56.93 57.65 1d5v s PHE 62 Cb 0.17 -3.00 -0.01 0.00 0.51 0.00 0.00 43.02 40.69 1d5v s PHE 62 CO 0.83 -0.00 -0.00 0.08 0.70 0.00 0.00 175.22 176.82 1d5v s VAL 63 N 1.07 3.70 0.30 -0.44 1.01 -1.10 -5.00 120.40 119.94 1d5v s VAL 63 Ca 0.45 -0.39 -0.14 0.00 0.00 0.00 0.00 61.98 61.91 1d5v s VAL 63 Cb -0.19 -2.70 -0.09 0.00 0.00 0.00 0.00 36.38 33.40 1d5v s VAL 63 CO 0.23 0.39 0.70 -1.59 0.00 0.00 0.00 175.10 174.82 1d5v s LYS 64 N 1.53 3.96 -0.58 2.72 -2.85 -1.26 -2.81 119.74 120.44 1d5v s LYS 64 Ca 0.06 0.58 -0.01 0.00 -1.00 0.00 0.00 55.97 55.60 1d5v s LYS 64 Cb -0.15 -2.48 0.15 0.00 -2.06 0.00 0.00 37.83 33.30 1d5v s LYS 64 CO -0.01 0.19 0.38 0.08 0.10 0.00 0.00 175.35 176.09 1d5v s VAL 65 N -1.95 3.45 0.15 1.79 1.01 0.24 -4.92 120.40 120.17 1d5v s VAL 65 Ca 0.53 -2.92 -0.34 0.00 0.00 0.00 0.00 61.98 59.25 1d5v s VAL 65 Cb -0.10 -3.28 -0.16 0.00 0.00 0.00 0.00 36.38 32.83 1d5v s VAL 65 CO 0.18 -0.84 1.14 -2.65 0.00 0.00 0.00 175.10 172.94 1d5v n PRO 66 N 3.54 1.02 -1.49 2.72 -0.02 -1.26 -2.74 135.00 136.77 1d5v n PRO 66 Ca 0.06 0.36 -0.36 0.00 -2.02 0.00 0.00 63.50 61.55 1d5v n PRO 66 Cb 0.37 -1.85 0.09 0.00 -0.02 0.00 0.00 33.50 32.09 1d5v n PRO 66 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1d5v n ARG 67 N 1.78 0.75 -1.77 -0.52 1.74 -1.25 -4.92 116.66 112.47 1d5v n ARG 67 Ca 0.16 0.32 -0.34 0.00 -0.77 0.00 0.00 57.85 57.22 1d5v n ARG 67 Cb 0.23 -2.45 0.05 0.00 -1.02 0.00 0.00 32.46 29.26 1d5v n ARG 67 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1d5v s ASP 68 N -1.63 5.02 0.56 0.55 1.01 -1.26 -4.89 116.67 116.03 1d5v s ASP 68 Ca 0.79 2.11 0.34 0.00 0.71 0.00 0.00 52.55 56.50 1d5v s ASP 68 Cb -0.35 -2.56 1.44 0.00 1.01 0.00 0.00 42.92 42.46 1d5v s ASP 68 CO 0.45 -1.69 2.01 0.44 0.21 0.00 0.00 175.17 176.59 1d5v h ASP 69 N 0.16 0.00 -0.82 0.27 3.32 -2.01 -2.83 116.42 114.51 1d5v h ASP 69 Ca -0.47 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 56.53 1d5v h ASP 69 Cb 1.26 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 40.77 1d5v h ASP 69 CO 0.54 0.00 0.35 0.11 -1.72 0.00 0.00 179.24 178.52 1d5v h LYS 70 N 0.00 1.21 -2.64 3.56 1.57 -2.03 -3.36 116.57 114.88 1d5v h LYS 70 Ca -0.00 -0.21 -0.60 0.00 -1.87 0.00 0.00 60.65 57.98 1d5v h LYS 70 Cb 0.48 -0.20 -0.39 0.00 0.08 0.00 0.00 32.23 32.19 1d5v h LYS 70 CO 0.00 0.96 -0.84 0.21 -0.57 0.00 0.00 179.45 179.21 1d5v s LYS 71 N -5.60 1.05 0.58 3.15 2.20 -1.07 -5.13 119.74 114.93 1d5v s LYS 71 Ca -0.12 -1.99 -0.06 0.00 -0.36 0.00 0.00 55.97 53.44 1d5v s LYS 71 Cb 0.16 -1.80 0.01 0.00 -1.51 0.00 0.00 37.83 34.68 1d5v s LYS 71 CO 0.84 -1.28 0.89 -1.25 -0.36 0.00 0.00 175.35 174.19 1d5v s PRO 72 N 0.25 2.93 0.00 4.03 0.04 -1.23 -4.42 135.00 136.61 1d5v s PRO 72 Ca 0.24 -0.03 0.00 0.00 0.04 0.00 0.00 61.00 61.25 1d5v s PRO 72 Cb -0.11 -2.29 0.00 0.00 0.04 0.00 0.00 34.50 32.14 1d5v s PRO 72 CO -0.09 -0.68 0.00 0.41 0.04 0.00 0.00 177.00 176.68 1d5v n GLY 73 N -2.55 -1.57 3.79 0.56 0.00 -1.26 -5.12 105.19 99.03 1d5v n GLY 73 Ca 0.04 0.62 -0.32 0.00 0.00 0.00 0.00 46.02 46.36 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 0.00 2.75 0.00 1.61 1.02 -1.26 -5.00 119.74 118.86 1d5v s LYS 74 Ca 0.00 1.20 0.00 0.00 0.02 0.00 0.00 55.97 57.19 1d5v s LYS 74 Cb 0.00 -1.96 0.00 0.00 -0.52 0.00 0.00 37.83 35.35 1d5v s LYS 74 CO 0.00 -1.26 0.00 0.41 -0.92 0.00 0.00 175.35 173.58 1d5v n GLY 75 N -1.11 -0.52 3.16 -3.33 0.00 -1.26 -4.74 105.19 97.39 1d5v n GLY 75 Ca 0.09 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.02 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 -2.76 0.20 0.66 1.61 0.01 -1.26 -3.93 113.70 108.24 1d5v s SER 76 Ca 0.00 -0.68 -0.11 0.00 1.31 0.00 0.00 55.95 56.47 1d5v s SER 76 Cb 0.00 0.28 -0.01 0.00 0.21 0.00 0.00 66.02 66.50 1d5v s SER 76 CO 0.00 -0.65 1.06 -0.31 0.41 0.00 0.00 173.24 173.76 1d5v s TYR 77 N -3.53 3.48 -0.08 2.43 2.02 -1.11 -4.21 117.35 116.36 1d5v s TYR 77 Ca 0.03 1.17 0.04 0.00 -0.37 0.00 0.00 57.07 57.94 1d5v s TYR 77 Cb 0.04 -2.89 0.00 0.00 -0.40 0.00 0.00 41.96 38.72 1d5v s TYR 77 CO -0.09 -0.92 -0.20 -1.58 -1.57 0.00 0.00 175.55 171.19 1d5v s TRP 78 N -3.26 2.17 0.11 2.71 0.52 0.63 -0.59 118.94 121.22 1d5v s TRP 78 Ca 0.56 -0.83 -0.09 0.00 0.02 0.00 0.00 56.10 55.77 1d5v s TRP 78 Cb -0.11 -1.47 -0.00 0.00 -1.15 0.00 0.00 33.47 30.74 1d5v s TRP 78 CO 0.53 -0.34 0.22 -0.08 0.02 0.00 0.00 176.95 177.30 1d5v s THR 79 N 0.35 0.12 0.94 2.01 -1.32 -1.12 -2.89 115.64 113.73 1d5v s THR 79 Ca -0.15 -1.24 -0.12 0.00 -1.21 0.00 0.00 61.69 58.97 1d5v s THR 79 Cb -0.16 -1.50 0.16 0.00 -1.51 0.00 0.00 72.50 69.48 1d5v s THR 79 CO 0.06 -0.53 1.12 -0.76 -2.21 0.00 0.00 174.62 172.30 1d5v s LEU 80 N -2.89 1.87 1.05 9.08 1.43 -1.26 -2.73 118.68 125.22 1d5v s LEU 80 Ca 0.09 1.05 -0.21 0.00 -1.03 0.00 0.00 54.13 54.03 1d5v s LEU 80 Cb 0.04 -3.33 -0.03 0.00 0.03 0.00 0.00 46.19 42.90 1d5v s LEU 80 CO -0.08 -2.75 -0.56 0.47 0.23 0.00 0.00 176.35 173.66 1d5v n ASP 81 N -3.91 -2.97 -1.15 2.29 8.00 -1.26 -4.67 116.55 112.88 1d5v n ASP 81 Ca 0.06 0.01 0.00 0.00 0.71 0.00 0.00 54.79 55.57 1d5v n ASP 81 Cb 0.58 -0.81 0.00 0.00 -0.02 0.00 0.00 41.12 40.87 1d5v n ASP 81 CO 0.00 0.00 0.00 -2.65 -0.39 0.00 0.00 177.20 174.16 1d5v n PRO 82 N 0.02 2.94 -1.04 -0.24 -0.02 -1.26 -4.77 135.00 130.62 1d5v n PRO 82 Ca 0.00 0.00 -0.08 0.00 -2.02 0.00 0.00 63.50 61.40 1d5v n PRO 82 Cb 0.65 0.00 0.29 0.00 -0.02 0.00 0.00 33.50 34.42 1d5v n PRO 82 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 1d5v n ASP 83 N 0.00 4.73 -0.34 2.55 8.00 -1.26 -4.95 116.55 125.28 1d5v n ASP 83 Ca 0.00 -3.24 0.00 0.00 0.71 0.00 0.00 54.79 52.26 1d5v n ASP 83 Cb 0.00 -0.76 0.00 0.00 -0.02 0.00 0.00 41.12 40.34 1d5v n ASP 83 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 1d5v n SER 84 N -0.22 0.00 -0.00 -2.24 7.64 -1.26 -4.63 113.62 112.90 1d5v n SER 84 Ca 0.43 0.00 -0.05 0.00 1.01 0.00 0.00 58.87 60.25 1d5v n SER 84 Cb 1.41 0.00 -0.12 0.00 -1.01 0.00 0.00 64.21 64.50 1d5v n SER 84 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1d5v n TYR 85 N -0.08 1.01 -0.53 1.43 4.19 -1.26 -3.90 117.16 118.02 1d5v n TYR 85 Ca 0.00 0.35 0.10 0.00 3.31 0.00 0.00 57.90 61.67 1d5v n TYR 85 Cb 0.00 -1.15 0.35 0.00 0.49 0.00 0.00 39.34 39.03 1d5v n TYR 85 CO 0.00 0.00 0.00 0.09 0.91 0.00 0.00 176.86 177.86 1d5v n ASN 86 N -2.99 4.51 -4.64 2.98 4.13 -1.26 -4.91 115.26 113.09 1d5v n ASN 86 Ca -0.14 -2.28 -0.42 0.00 1.68 0.00 0.00 54.58 53.42 1d5v n ASN 86 Cb 0.97 -0.55 -0.04 0.00 -1.54 0.00 0.00 39.78 38.61 1d5v n ASN 86 CO 0.00 0.00 0.00 -0.04 0.28 0.00 0.00 177.26 177.50 1d5v s MET 87 N -1.54 4.13 -0.19 3.52 -1.94 -1.25 -4.89 119.30 117.15 1d5v s MET 87 Ca 0.51 0.85 0.14 0.00 -1.71 0.00 0.00 55.69 55.49 1d5v s MET 87 Cb 0.31 -3.66 0.39 0.00 2.01 0.00 0.00 34.83 33.87 1d5v s MET 87 CO 0.28 -0.56 1.23 1.97 -0.01 0.00 0.00 175.02 177.94 1d5v n PHE 88 N 6.06 0.17 0.00 -0.03 -1.74 -1.26 -4.71 117.46 115.94 1d5v n PHE 88 Ca 0.05 -1.28 0.00 0.00 -0.56 0.00 0.00 57.45 55.66 1d5v n PHE 88 Cb 0.48 -0.24 0.00 0.00 1.52 0.00 0.00 39.48 41.24 1d5v n PHE 88 CO 0.00 0.00 0.00 -0.85 -0.56 0.00 0.00 176.76 175.35 1d5v n GLU 89 N -1.21 0.00 -4.33 3.97 0.28 -1.26 -4.41 120.64 113.68 1d5v n GLU 89 Ca 0.19 0.42 -0.18 0.00 -0.16 0.00 0.00 57.16 57.43 1d5v n GLU 89 Cb 0.72 -1.56 -0.14 0.00 1.43 0.00 0.00 31.44 31.89 1d5v n GLU 89 CO 0.00 0.00 0.00 -0.80 -0.16 0.00 0.00 177.13 176.17 1d5v s ASN 90 N -2.83 1.13 0.31 -1.84 0.02 -1.26 -5.03 114.94 105.44 1d5v s ASN 90 Ca 0.00 -0.25 -0.01 0.00 -1.02 0.00 0.00 52.86 51.58 1d5v s ASN 90 Cb 0.00 -0.10 0.47 0.00 0.02 0.00 0.00 41.25 41.65 1d5v s ASN 90 CO 0.00 0.06 1.97 1.23 0.02 0.00 0.00 177.10 180.39 1d5v h GLY 91 N 5.61 1.13 1.01 0.66 0.00 -1.98 -1.64 103.07 107.86 1d5v h GLY 91 Ca -0.32 -0.42 0.01 0.00 0.00 0.00 0.00 47.33 46.60 1d5v h GLY 91 CO 0.48 0.41 0.67 1.76 0.00 0.00 0.00 176.54 179.85 1d5v h SER 92 N 1.08 1.16 0.00 0.19 0.02 -1.95 -2.98 113.55 111.06 1d5v h SER 92 Ca 0.29 -0.03 -0.36 0.00 -0.84 0.00 0.00 61.79 60.86 1d5v h SER 92 Cb -0.12 -0.29 -0.01 0.00 0.14 0.00 0.00 62.40 62.13 1d5v h SER 92 CO -0.07 0.84 1.81 0.33 -1.14 0.00 0.00 176.83 178.60 1d5v n PHE 93 N -4.38 1.08 -1.75 3.45 -0.00 -0.61 -5.17 117.46 110.08 1d5v n PHE 93 Ca 0.12 -1.91 0.00 0.00 -0.00 0.00 0.00 57.45 55.66 1d5v n PHE 93 Cb 0.01 -1.73 0.00 0.00 -0.00 0.00 0.00 39.48 37.76 1d5v n PHE 93 CO 0.00 0.00 0.00 -0.11 -0.00 0.00 0.00 176.76 176.65