#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 4.51 0.01 4.03 1.43 -1.26 -5.04 118.68 122.35 1d5v s LEU 2 Ca 0.00 2.26 -0.00 0.00 -1.03 0.00 0.00 54.13 55.35 1d5v s LEU 2 Cb 0.00 -3.69 -0.01 0.00 0.03 0.00 0.00 46.19 42.53 1d5v s LEU 2 CO 0.00 -0.19 -0.01 0.68 0.23 0.00 0.00 176.35 177.06 1d5v s VAL 3 N -1.21 0.05 0.51 -1.59 -7.23 -1.26 -5.14 120.40 104.52 1d5v s VAL 3 Ca 0.46 -0.37 -0.21 0.00 -1.81 0.00 0.00 61.98 60.05 1d5v s VAL 3 Cb -0.31 -0.11 -0.07 0.00 0.56 0.00 0.00 36.38 36.45 1d5v s VAL 3 CO 0.40 -0.21 1.14 -1.59 -0.31 0.00 0.00 175.10 174.53 1d5v s LYS 4 N -0.60 3.54 -0.14 4.82 -2.85 -1.26 -4.98 119.74 118.27 1d5v s LYS 4 Ca -0.07 1.67 -0.26 0.00 -1.00 0.00 0.00 55.97 56.31 1d5v s LYS 4 Cb -0.04 -2.18 -0.02 0.00 -2.06 0.00 0.00 37.83 33.54 1d5v s LYS 4 CO -0.00 -0.70 0.87 -1.25 0.10 0.00 0.00 175.35 174.37 1d5v s PRO 5 N -3.04 4.35 0.14 1.78 0.04 -1.26 -4.91 135.00 132.11 1d5v s PRO 5 Ca 0.69 1.12 0.01 0.00 0.04 0.00 0.00 61.00 62.86 1d5v s PRO 5 Cb -0.25 -3.55 0.05 0.00 0.04 0.00 0.00 34.50 30.79 1d5v s PRO 5 CO 0.30 -0.29 0.68 -2.30 0.04 0.00 0.00 177.00 175.43 1d5v n PRO 6 N 5.03 0.01 -1.90 0.56 -0.02 -1.26 -4.61 135.00 132.81 1d5v n PRO 6 Ca 0.05 0.24 -0.41 0.00 -2.02 0.00 0.00 63.50 61.37 1d5v n PRO 6 Cb 0.49 -2.08 -0.01 0.00 -0.02 0.00 0.00 33.50 31.88 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 -2.52 2.72 0.78 6.00 2.02 -1.26 -4.99 117.35 120.11 1d5v s TYR 7 Ca -0.00 1.25 -0.12 0.00 -0.37 0.00 0.00 57.07 57.83 1d5v s TYR 7 Cb 0.00 -3.92 0.06 0.00 -0.40 0.00 0.00 41.96 37.71 1d5v s TYR 7 CO 0.01 -2.65 1.15 0.45 -1.57 0.00 0.00 175.55 172.94 1d5v s SER 8 N -0.26 4.74 0.25 2.29 0.15 -1.26 -4.80 113.70 114.80 1d5v s SER 8 Ca 0.52 0.91 -0.06 0.00 0.70 0.00 0.00 55.95 58.01 1d5v s SER 8 Cb -0.44 -1.50 0.26 0.00 -1.71 0.00 0.00 66.02 62.62 1d5v s SER 8 CO 0.60 -1.77 1.91 1.88 1.20 0.00 0.00 173.24 177.06 1d5v h TYR 9 N -0.96 1.25 -0.78 3.44 0.05 -1.96 -0.97 116.97 117.04 1d5v h TYR 9 Ca -0.46 0.01 -0.03 0.00 0.05 0.00 0.00 58.73 58.31 1d5v h TYR 9 Cb 1.31 -0.42 -0.04 0.00 1.01 0.00 0.00 36.73 38.59 1d5v h TYR 9 CO 0.37 0.81 0.39 0.82 -1.05 0.00 0.00 178.16 179.50 1d5v h ILE 10 N 1.33 1.24 -0.44 -2.88 1.08 -1.99 -2.08 117.51 113.77 1d5v h ILE 10 Ca 0.35 -0.66 -0.09 0.00 -0.39 0.00 0.00 64.86 64.07 1d5v h ILE 10 Cb -0.11 0.25 -0.01 0.00 -3.07 0.00 0.00 36.82 33.88 1d5v h ILE 10 CO -0.07 0.28 -0.08 0.00 -0.69 0.00 0.00 178.15 177.59 1d5v h ALA 11 N 1.20 0.61 -1.00 1.87 0.00 -1.71 -0.88 119.26 119.35 1d5v h ALA 11 Ca 0.27 -0.32 0.01 0.00 0.00 0.00 0.00 54.91 54.87 1d5v h ALA 11 Cb 0.10 -0.16 -0.05 0.00 0.00 0.00 0.00 17.79 17.68 1d5v h ALA 11 CO -0.04 0.48 0.65 -0.07 0.00 0.00 0.00 179.25 180.28 1d5v h LEU 12 N 0.68 1.15 -0.47 0.00 3.38 -0.92 -0.05 115.31 119.09 1d5v h LEU 12 Ca 0.12 -0.03 -0.14 0.00 0.09 0.00 0.00 57.88 57.91 1d5v h LEU 12 Cb 0.62 -0.29 -0.01 0.00 0.09 0.00 0.00 40.66 41.07 1d5v h LEU 12 CO 0.04 0.84 -0.25 0.40 0.09 0.00 0.00 178.44 179.56 1d5v h ILE 13 N 1.36 1.27 -0.80 1.22 2.04 -1.17 -2.75 117.51 118.68 1d5v h ILE 13 Ca 0.36 -1.42 -0.05 0.00 1.00 0.00 0.00 64.86 64.76 1d5v h ILE 13 Cb -0.15 1.18 -0.03 0.00 -0.74 0.00 0.00 36.82 37.07 1d5v h ILE 13 CO -0.08 0.49 0.31 0.74 0.00 0.00 0.00 178.15 179.61 1d5v h THR 14 N 0.84 1.26 -0.67 -0.27 2.02 -0.36 -2.74 112.91 113.00 1d5v h THR 14 Ca 0.10 -0.84 -0.08 0.00 0.77 0.00 0.00 66.41 66.36 1d5v h THR 14 Cb 0.84 0.32 -0.03 0.00 -1.74 0.00 0.00 68.15 67.54 1d5v h THR 14 CO 0.07 0.34 0.09 0.24 0.37 0.00 0.00 175.52 176.64 1d5v h MET 15 N 1.16 1.12 -0.14 6.66 2.86 -0.92 -1.64 114.93 124.03 1d5v h MET 15 Ca 0.26 -0.31 0.00 0.00 -2.06 0.00 0.00 59.70 57.60 1d5v h MET 15 Cb 0.23 -0.13 -0.01 0.00 0.06 0.00 0.00 31.60 31.76 1d5v h MET 15 CO -0.02 1.03 0.09 0.00 1.06 0.00 0.00 176.91 179.07 1d5v h ALA 16 N 1.05 0.17 0.01 6.32 0.00 -1.24 0.29 119.26 125.86 1d5v h ALA 16 Ca 0.20 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.10 1d5v h ALA 16 Cb 0.47 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.20 1d5v h ALA 16 CO 0.02 -0.34 -0.00 0.82 0.00 0.00 0.00 179.25 179.74 1d5v h ILE 17 N 0.18 1.04 -1.00 0.00 2.04 -1.35 0.16 117.51 118.59 1d5v h ILE 17 Ca 0.05 -0.14 0.01 0.00 1.00 0.00 0.00 64.86 65.78 1d5v h ILE 17 Cb -0.02 1.14 -0.05 0.00 -0.74 0.00 0.00 36.82 37.15 1d5v h ILE 17 CO -0.01 0.04 0.66 1.56 0.00 0.00 0.00 178.15 180.40 1d5v h GLN 18 N -0.07 1.31 -0.00 2.37 4.20 -1.08 -0.30 115.11 121.54 1d5v h GLN 18 Ca -0.00 -0.08 0.00 0.00 0.06 0.00 0.00 58.65 58.63 1d5v h GLN 18 Cb 0.07 -0.30 0.00 0.00 0.30 0.00 0.00 27.48 27.55 1d5v h GLN 18 CO 0.00 0.87 -0.00 0.09 -0.67 0.00 0.00 178.83 179.12 1d5v n ASN 19 N -4.39 0.29 -4.68 1.46 3.02 0.10 -4.78 115.26 106.28 1d5v n ASN 19 Ca 0.12 -1.08 -0.43 0.00 -0.03 0.00 0.00 54.58 53.16 1d5v n ASN 19 Cb 0.01 -0.00 -0.02 0.00 -0.61 0.00 0.00 39.78 39.15 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 -2.01 3.52 0.28 5.41 0.00 0.02 -4.91 121.76 124.05 1d5v s ALA 20 Ca 0.46 0.38 -0.05 0.00 0.00 0.00 0.00 51.96 52.74 1d5v s ALA 20 Cb 0.22 -3.50 0.54 0.00 0.00 0.00 0.00 23.12 20.38 1d5v s ALA 20 CO 0.37 -0.80 1.59 -1.35 0.00 0.00 0.00 175.76 175.56 1d5v h PRO 21 N 7.35 0.03 -5.95 0.00 0.11 -1.86 -3.37 132.00 128.31 1d5v h PRO 21 Ca -0.28 -0.00 -0.67 0.00 0.11 0.00 0.00 66.00 65.16 1d5v h PRO 21 Cb 1.12 -0.01 -0.12 0.00 0.11 0.00 0.00 31.00 32.10 1d5v h PRO 21 CO 0.90 0.02 -0.59 -1.21 -0.21 0.00 0.00 178.00 176.91 1d5v s GLU 22 N -6.13 3.05 0.31 1.05 0.41 -1.26 -5.00 118.70 111.12 1d5v s GLU 22 Ca -0.14 -0.41 -0.01 0.00 -0.41 0.00 0.00 54.97 54.00 1d5v s GLU 22 Cb 0.26 -2.86 0.48 0.00 -1.78 0.00 0.00 34.13 30.23 1d5v s GLU 22 CO 0.77 0.69 1.98 0.87 -0.49 0.00 0.00 175.26 179.08 1d5v h LYS 23 N 4.75 1.04 -6.37 1.61 1.79 -1.86 -3.39 116.57 114.14 1d5v h LYS 23 Ca -0.51 -0.06 -0.55 0.00 -2.18 0.00 0.00 60.65 57.35 1d5v h LYS 23 Cb 1.19 -0.24 -0.02 0.00 -1.58 0.00 0.00 32.23 31.59 1d5v h LYS 23 CO 0.57 0.69 0.53 0.15 -1.08 0.00 0.00 179.45 180.31 1d5v s LYS 24 N -5.89 4.46 0.03 3.15 1.02 -1.25 -4.20 119.74 117.06 1d5v s LYS 24 Ca -0.11 1.54 0.00 0.00 0.02 0.00 0.00 55.97 57.43 1d5v s LYS 24 Cb 0.18 -3.48 -0.02 0.00 -0.52 0.00 0.00 37.83 33.99 1d5v s LYS 24 CO 0.79 -0.24 -0.04 -1.50 -0.92 0.00 0.00 175.35 173.43 1d5v s ILE 25 N 1.51 0.24 0.54 2.17 2.07 -0.76 -4.86 121.20 122.11 1d5v s ILE 25 Ca 0.53 -1.09 -0.13 0.00 -1.41 0.00 0.00 60.65 58.56 1d5v s ILE 25 Cb -0.23 -0.53 -0.06 0.00 0.13 0.00 0.00 42.46 41.77 1d5v s ILE 25 CO 0.25 -0.55 0.96 0.42 -1.91 0.00 0.00 174.94 174.11 1d5v s THR 26 N -1.81 4.66 0.12 4.00 -4.23 -1.26 -2.53 115.64 114.59 1d5v s THR 26 Ca -0.11 0.94 -0.20 0.00 -1.18 0.00 0.00 61.69 61.14 1d5v s THR 26 Cb -0.07 -3.79 -0.08 0.00 1.34 0.00 0.00 72.50 69.90 1d5v s THR 26 CO -0.02 -0.85 1.77 0.25 -0.54 0.00 0.00 174.62 175.24 1d5v h LEU 27 N 0.46 0.20 -1.01 4.79 5.85 -1.97 -2.62 115.31 121.00 1d5v h LEU 27 Ca -0.46 -0.00 0.01 0.00 0.84 0.00 0.00 57.88 58.27 1d5v h LEU 27 Cb 1.19 -0.05 -0.05 0.00 0.37 0.00 0.00 40.66 42.12 1d5v h LEU 27 CO 0.62 0.14 0.67 0.78 -0.34 0.00 0.00 178.44 180.31 1d5v h ASN 28 N 0.23 1.16 -0.97 1.25 2.35 -2.02 -2.33 115.58 115.26 1d5v h ASN 28 Ca 0.06 -0.03 0.06 0.00 -0.55 0.00 0.00 56.30 55.84 1d5v h ASN 28 Cb -0.03 -0.29 -0.06 0.00 0.05 0.00 0.00 38.32 37.99 1d5v h ASN 28 CO -0.02 0.84 0.63 1.23 -1.65 0.00 0.00 177.43 178.46 1d5v h GLY 29 N 1.37 1.45 1.00 2.83 0.00 -1.86 -2.28 103.07 105.58 1d5v h GLY 29 Ca 0.37 -0.46 0.01 0.00 0.00 0.00 0.00 47.33 47.25 1d5v h GLY 29 CO -0.08 0.34 0.47 -2.22 0.00 0.00 0.00 176.54 175.05 1d5v h ILE 30 N 1.14 1.18 -0.87 2.60 2.04 -1.22 -2.66 117.51 119.72 1d5v h ILE 30 Ca 0.41 -0.33 0.01 0.00 1.00 0.00 0.00 64.86 65.95 1d5v h ILE 30 Cb 0.15 0.14 -0.04 0.00 -0.74 0.00 0.00 36.82 36.32 1d5v h ILE 30 CO -0.15 0.17 0.57 1.88 0.00 0.00 0.00 178.15 180.62 1d5v h TYR 31 N 0.96 1.10 -0.93 1.37 0.05 -1.40 -2.37 116.97 115.75 1d5v h TYR 31 Ca 0.26 0.02 0.01 0.00 0.05 0.00 0.00 58.73 59.07 1d5v h TYR 31 Cb -0.11 -0.37 -0.05 0.00 1.01 0.00 0.00 36.73 37.22 1d5v h TYR 31 CO -0.02 0.70 0.61 0.37 -1.05 0.00 0.00 178.16 178.76 1d5v h GLN 32 N 1.18 1.23 -0.08 4.88 4.15 -1.38 -2.84 115.11 122.26 1d5v h GLN 32 Ca 0.32 -0.08 0.00 0.00 0.77 0.00 0.00 58.65 59.66 1d5v h GLN 32 Cb -0.12 -0.27 -0.00 0.00 0.21 0.00 0.00 27.48 27.29 1d5v h GLN 32 CO -0.07 0.82 0.04 0.35 -1.93 0.00 0.00 178.83 178.05 1d5v h PHE 33 N 1.26 0.08 -0.01 3.99 3.57 -1.24 -1.37 116.94 123.22 1d5v h PHE 33 Ca 0.34 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.84 1d5v h PHE 33 Cb -0.13 -0.03 -0.00 0.00 2.79 0.00 0.00 35.95 38.58 1d5v h PHE 33 CO 0.00 0.05 0.01 0.82 -2.23 0.00 0.00 178.31 176.96 1d5v h ILE 34 N 0.09 1.00 -1.00 1.41 2.04 -1.42 -2.48 117.51 117.17 1d5v h ILE 34 Ca 0.03 -0.01 0.01 0.00 1.00 0.00 0.00 64.86 65.89 1d5v h ILE 34 Cb -0.00 0.99 -0.05 0.00 -0.74 0.00 0.00 36.82 37.02 1d5v h ILE 34 CO -0.01 0.00 0.66 0.24 0.00 0.00 0.00 178.15 179.04 1d5v h MET 35 N 0.01 1.31 -0.47 2.37 2.86 -1.41 -2.02 114.93 117.59 1d5v h MET 35 Ca 0.00 -0.08 0.00 0.00 -2.06 0.00 0.00 59.70 57.56 1d5v h MET 35 Cb 0.00 -0.30 -0.02 0.00 0.06 0.00 0.00 31.60 31.34 1d5v h MET 35 CO -0.00 0.87 0.30 -0.44 1.06 0.00 0.00 176.91 178.70 1d5v h ASP 36 N 1.35 0.55 -0.08 1.22 3.32 -0.97 -3.12 116.42 118.70 1d5v h ASP 36 Ca 0.36 -0.03 -0.02 0.00 0.02 0.00 0.00 57.03 57.36 1d5v h ASP 36 Cb -0.15 -0.14 -0.00 0.00 0.22 0.00 0.00 39.33 39.25 1d5v h ASP 36 CO -0.08 0.42 -0.03 0.03 -1.72 0.00 0.00 179.24 177.86 1d5v h ARG 37 N 0.63 0.16 -4.93 3.56 3.08 -1.11 -3.43 114.38 112.35 1d5v h ARG 37 Ca 0.17 -0.07 -0.62 0.00 0.07 0.00 0.00 59.98 59.53 1d5v h ARG 37 Cb -0.04 -0.01 -0.34 0.00 0.08 0.00 0.00 29.97 29.66 1d5v h ARG 37 CO -0.03 0.52 -0.85 -0.06 -1.07 0.00 0.00 179.97 178.47 1d5v s PHE 38 N -4.62 2.25 -1.51 3.04 0.08 -0.79 -4.99 117.98 111.45 1d5v s PHE 38 Ca -0.15 -1.09 0.30 0.00 0.12 0.00 0.00 56.93 56.11 1d5v s PHE 38 Cb 0.04 -1.58 1.56 0.00 -0.57 0.00 0.00 43.02 42.47 1d5v s PHE 38 CO 0.70 -0.53 2.07 -0.35 -0.10 0.00 0.00 175.22 177.01 1d5v n PRO 39 N 4.14 0.51 -0.38 0.24 -0.04 -1.25 -3.63 135.00 134.59 1d5v n PRO 39 Ca -0.19 -0.01 -0.02 0.00 -0.04 0.00 0.00 63.50 63.23 1d5v n PRO 39 Cb 0.51 -1.50 0.11 0.00 -0.04 0.00 0.00 33.50 32.58 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 0.03 1.26 -0.05 0.54 3.57 -1.94 -1.79 116.94 118.55 1d5v h PHE 40 Ca 0.00 0.03 -0.11 0.00 3.53 0.00 0.00 57.97 61.42 1d5v h PHE 40 Cb 0.26 -0.43 -0.01 0.00 2.79 0.00 0.00 35.95 38.56 1d5v h PHE 40 CO 0.00 0.79 -0.49 1.88 -2.23 0.00 0.00 178.31 178.26 1d5v h TYR 41 N 1.36 0.15 -1.00 0.41 -1.99 -1.85 -2.94 116.97 111.10 1d5v h TYR 41 Ca 0.37 -0.05 0.01 0.00 2.00 0.00 0.00 58.73 61.06 1d5v h TYR 41 Cb -0.16 -0.03 -0.05 0.00 2.00 0.00 0.00 36.73 38.49 1d5v h TYR 41 CO -0.00 0.59 0.66 0.00 -0.00 0.00 0.00 178.16 179.41 1d5v h ARG 42 N 0.10 1.32 -0.80 4.88 3.08 -1.53 -2.09 114.38 119.34 1d5v h ARG 42 Ca 0.00 -0.08 -0.05 0.00 0.07 0.00 0.00 59.98 59.92 1d5v h ARG 42 Cb 0.91 -0.30 -0.04 0.00 0.08 0.00 0.00 29.97 30.62 1d5v h ARG 42 CO 0.07 0.88 0.32 0.93 -1.07 0.00 0.00 179.97 181.09 1d5v h GLU 43 N 1.36 1.19 -4.45 0.04 5.08 -1.36 -3.37 114.58 113.08 1d5v h GLU 43 Ca 0.37 -0.22 -0.71 0.00 -1.00 0.00 0.00 59.36 57.80 1d5v h GLU 43 Cb -0.15 -0.19 -0.32 0.00 0.50 0.00 0.00 28.75 28.59 1d5v h GLU 43 CO -0.08 0.97 -0.50 -0.80 -1.00 0.00 0.00 179.01 177.60 1d5v s ASN 44 N -6.35 5.41 -0.10 1.42 0.01 -0.79 -4.93 114.94 109.61 1d5v s ASN 44 Ca -0.12 -1.87 -0.09 0.00 -0.71 0.00 0.00 52.86 50.06 1d5v s ASN 44 Cb 0.16 -1.90 -0.27 0.00 0.41 0.00 0.00 41.25 39.65 1d5v s ASN 44 CO 0.84 -0.57 0.46 0.11 -1.51 0.00 0.00 177.10 176.44 1d5v h LYS 45 N 8.21 0.29 -6.81 -0.60 1.57 -1.73 -3.44 116.57 114.06 1d5v h LYS 45 Ca -0.17 -0.50 -0.49 0.00 -1.87 0.00 0.00 60.65 57.62 1d5v h LYS 45 Cb 1.06 0.19 -0.01 0.00 0.08 0.00 0.00 32.23 33.55 1d5v h LYS 45 CO 0.74 1.24 0.38 -0.65 -0.57 0.00 0.00 179.45 180.59 1d5v s GLN 46 N -2.55 4.69 0.00 3.15 -0.21 -1.26 -3.19 119.66 120.29 1d5v s GLN 46 Ca -0.21 1.51 0.00 0.00 0.02 0.00 0.00 55.36 56.68 1d5v s GLN 46 Cb 0.06 -3.07 0.00 0.00 1.00 0.00 0.00 33.01 31.00 1d5v s GLN 46 CO 0.79 0.34 0.00 0.41 -2.12 0.00 0.00 175.29 174.71 1d5v n GLY 47 N 1.09 2.77 0.02 3.09 0.00 -1.26 -4.72 105.19 106.18 1d5v n GLY 47 Ca -0.00 -0.74 0.12 0.00 0.00 0.00 0.00 46.02 45.40 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 0.21 0.16 1.61 4.27 -1.26 -3.89 117.44 118.54 1d5v n TRP 48 Ca 0.00 0.06 -0.11 0.00 -3.89 0.00 0.00 57.50 53.56 1d5v n TRP 48 Cb 0.00 -0.42 -0.07 0.00 -1.36 0.00 0.00 31.31 29.46 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 0.00 -0.44 -0.33 -2.67 4.15 -1.83 -3.18 115.11 110.80 1d5v h GLN 49 Ca 0.00 0.03 -0.16 0.00 0.77 0.00 0.00 58.65 59.29 1d5v h GLN 49 Cb 0.60 0.10 -0.01 0.00 0.21 0.00 0.00 27.48 28.38 1d5v h GLN 49 CO 0.00 -0.13 -0.41 -0.91 -1.93 0.00 0.00 178.83 175.45 1d5v h ASN 50 N -0.95 0.88 -0.99 -0.69 2.35 -1.87 -3.25 115.58 111.06 1d5v h ASN 50 Ca -0.05 -0.41 0.01 0.00 -0.55 0.00 0.00 56.30 55.30 1d5v h ASN 50 Cb 0.52 -0.25 -0.05 0.00 0.05 0.00 0.00 38.32 38.59 1d5v h ASN 50 CO 0.08 1.18 0.66 0.28 -1.65 0.00 0.00 177.43 177.98 1d5v h SER 51 N 0.67 1.14 0.06 5.81 0.02 -1.69 -1.02 113.55 118.54 1d5v h SER 51 Ca 0.05 -0.03 -0.00 0.00 -0.84 0.00 0.00 61.79 60.97 1d5v h SER 51 Cb 0.99 -0.29 -0.00 0.00 0.14 0.00 0.00 62.40 63.24 1d5v h SER 51 CO 0.09 0.83 -0.07 0.40 -1.14 0.00 0.00 176.83 176.94 1d5v h ILE 52 N 1.35 0.00 -0.12 3.27 1.08 -1.57 -1.50 117.51 120.02 1d5v h ILE 52 Ca 0.36 0.00 -0.12 0.00 -0.39 0.00 0.00 64.86 64.71 1d5v h ILE 52 Cb -0.16 0.00 -0.01 0.00 -3.07 0.00 0.00 36.82 33.58 1d5v h ILE 52 CO -0.08 0.00 -0.47 0.08 -0.69 0.00 0.00 178.15 176.99 1d5v h ARG 53 N -0.13 0.30 -0.99 2.37 0.11 -1.69 -2.90 114.38 111.44 1d5v h ARG 53 Ca -0.01 -0.16 0.01 0.00 0.10 0.00 0.00 59.98 59.92 1d5v h ARG 53 Cb 0.11 0.01 -0.05 0.00 1.11 0.00 0.00 29.97 31.15 1d5v h ARG 53 CO -0.02 0.71 0.66 0.45 0.10 0.00 0.00 179.97 181.87 1d5v h HIS 54 N 0.24 1.25 -0.95 4.08 3.86 -1.17 -0.95 115.15 121.51 1d5v h HIS 54 Ca 0.01 0.03 0.01 0.00 -1.16 0.00 0.00 60.37 59.26 1d5v h HIS 54 Cb 0.92 -0.42 -0.05 0.00 1.06 0.00 0.00 27.41 28.92 1d5v h HIS 54 CO 0.02 0.79 0.63 -0.97 0.86 0.00 0.00 177.93 179.25 1d5v h ASN 55 N 1.35 1.10 -0.85 2.45 -0.73 -1.07 -1.81 115.58 116.01 1d5v h ASN 55 Ca 0.36 -0.03 -0.03 0.00 1.87 0.00 0.00 56.30 58.47 1d5v h ASN 55 Cb -0.16 -0.27 -0.04 0.00 0.27 0.00 0.00 38.32 38.12 1d5v h ASN 55 CO -0.08 0.80 0.42 -0.07 -0.37 0.00 0.00 177.43 178.13 1d5v h LEU 56 N 1.29 1.11 -0.02 0.34 3.38 -1.09 0.14 115.31 120.46 1d5v h LEU 56 Ca 0.35 -0.13 -0.00 0.00 0.09 0.00 0.00 57.88 58.18 1d5v h LEU 56 Cb -0.14 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 40.32 1d5v h LEU 56 CO -0.07 0.93 0.00 0.28 0.09 0.00 0.00 178.44 179.67 1d5v h SER 57 N 1.21 0.03 -0.37 -0.43 0.02 -0.55 -3.16 113.55 110.29 1d5v h SER 57 Ca 0.29 -0.23 -0.16 0.00 -0.84 0.00 0.00 61.79 60.85 1d5v h SER 57 Cb 0.11 -0.01 -0.01 0.00 0.14 0.00 0.00 62.40 62.63 1d5v h SER 57 CO -0.04 0.25 -0.41 -0.07 -1.14 0.00 0.00 176.83 175.42 1d5v h LEU 58 N -0.19 1.01 -9.29 5.07 4.07 -1.25 -3.42 115.31 111.30 1d5v h LEU 58 Ca 0.01 -0.47 -0.55 0.00 0.08 0.00 0.00 57.88 56.94 1d5v h LEU 58 Cb 0.23 -0.28 -0.01 0.00 1.08 0.00 0.00 40.66 41.68 1d5v h LEU 58 CO 0.00 1.28 0.97 0.20 -1.08 0.00 0.00 178.44 179.81 1d5v s ASN 59 N -6.85 6.76 0.00 -0.43 0.01 0.47 -4.85 114.94 110.05 1d5v s ASN 59 Ca -0.11 2.13 0.27 0.00 -0.71 0.00 0.00 52.86 54.43 1d5v s ASN 59 Cb 0.11 -2.54 0.82 0.00 0.41 0.00 0.00 41.25 40.05 1d5v s ASN 59 CO 0.88 -0.83 1.61 -0.62 -1.51 0.00 0.00 177.10 176.63 1d5v n GLU 60 N 6.39 1.12 -0.38 -0.60 1.02 -1.26 -4.03 120.64 122.90 1d5v n GLU 60 Ca 0.15 -0.67 -0.02 0.00 -0.02 0.00 0.00 57.16 56.61 1d5v n GLU 60 Cb 0.43 -1.49 0.11 0.00 -0.02 0.00 0.00 31.44 30.48 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 -6.11 3.14 -0.14 0.00 0.08 -1.26 -4.81 117.98 108.88 1d5v s PHE 62 Ca -0.13 1.59 -0.02 0.00 0.12 0.00 0.00 56.93 58.49 1d5v s PHE 62 Cb 0.18 -2.97 -0.02 0.00 -0.57 0.00 0.00 43.02 39.64 1d5v s PHE 62 CO 0.82 -0.50 -0.07 0.08 -0.10 0.00 0.00 175.22 175.45 1d5v s VAL 63 N -2.08 3.56 -0.25 -0.44 1.01 -1.24 -5.05 120.40 115.91 1d5v s VAL 63 Ca 0.65 -0.48 -0.19 0.00 0.00 0.00 0.00 61.98 61.96 1d5v s VAL 63 Cb -0.13 -2.54 -0.02 0.00 0.00 0.00 0.00 36.38 33.69 1d5v s VAL 63 CO 0.17 0.51 0.58 -0.54 0.00 0.00 0.00 175.10 175.82 1d5v s LYS 64 N 0.35 4.11 -0.21 2.72 1.02 -1.26 -3.64 119.74 122.82 1d5v s LYS 64 Ca -0.07 0.47 -0.09 0.00 0.02 0.00 0.00 55.97 56.30 1d5v s LYS 64 Cb -0.15 -3.64 -0.05 0.00 -0.52 0.00 0.00 37.83 33.48 1d5v s LYS 64 CO 0.04 -0.37 0.11 0.08 -0.92 0.00 0.00 175.35 174.30 1d5v s VAL 65 N 2.35 5.09 0.48 3.17 1.01 -1.16 -4.85 120.40 126.49 1d5v s VAL 65 Ca 0.25 0.08 -0.20 0.00 0.00 0.00 0.00 61.98 62.11 1d5v s VAL 65 Cb -0.16 -3.34 -0.09 0.00 0.00 0.00 0.00 36.38 32.80 1d5v s VAL 65 CO 0.09 0.40 1.00 -2.16 0.00 0.00 0.00 175.10 174.43 1d5v s PRO 66 N 0.74 3.93 0.47 2.72 0.04 -1.26 -1.67 135.00 139.97 1d5v s PRO 66 Ca 0.06 1.20 -0.17 0.00 0.04 0.00 0.00 61.00 62.12 1d5v s PRO 66 Cb -0.13 -2.13 -0.09 0.00 0.04 0.00 0.00 34.50 32.20 1d5v s PRO 66 CO 0.02 -0.30 0.95 1.03 0.04 0.00 0.00 177.00 178.74 1d5v s ARG 67 N -3.41 4.03 0.70 4.56 0.52 -1.26 -4.88 118.95 119.21 1d5v s ARG 67 Ca 0.64 0.96 -0.11 0.00 -0.52 0.00 0.00 55.73 56.70 1d5v s ARG 67 Cb -0.13 -2.18 0.02 0.00 0.52 0.00 0.00 34.95 33.18 1d5v s ARG 67 CO 0.21 -0.15 1.08 -0.51 0.02 0.00 0.00 175.30 175.95 1d5v s ASP 68 N -2.75 5.40 0.25 0.23 1.01 -1.26 -4.94 116.67 114.61 1d5v s ASP 68 Ca 0.59 1.07 -0.06 0.00 0.71 0.00 0.00 52.55 54.86 1d5v s ASP 68 Cb -0.10 -1.86 0.26 0.00 1.01 0.00 0.00 42.92 42.23 1d5v s ASP 68 CO 0.25 -1.35 1.93 0.44 0.21 0.00 0.00 175.17 176.65 1d5v h ASP 69 N -0.63 1.16 0.00 0.27 3.32 -1.99 -0.50 116.42 118.04 1d5v h ASP 69 Ca -0.45 -0.03 0.00 0.00 0.02 0.00 0.00 57.03 56.57 1d5v h ASP 69 Cb 1.26 -0.29 0.00 0.00 0.22 0.00 0.00 39.33 40.52 1d5v h ASP 69 CO 0.64 0.84 0.39 0.11 -1.72 0.00 0.00 179.24 179.49 1d5v h LYS 70 N 1.36 0.00 -2.87 3.56 1.57 -2.04 -2.76 116.57 115.39 1d5v h LYS 70 Ca 0.37 0.00 -0.61 0.00 -1.87 0.00 0.00 60.65 58.54 1d5v h LYS 70 Cb -0.16 0.00 -0.41 0.00 0.08 0.00 0.00 32.23 31.75 1d5v h LYS 70 CO -0.08 0.00 -0.69 1.63 -0.57 0.00 0.00 179.45 179.74 1d5v n LYS 71 N -2.05 1.38 -2.55 3.15 5.02 -0.20 -5.10 118.16 117.82 1d5v n LYS 71 Ca -0.01 -4.12 -0.41 0.00 -2.02 0.00 0.00 58.31 51.75 1d5v n LYS 71 Cb 0.41 -2.11 -0.04 0.00 -0.02 0.00 0.00 35.03 33.27 1d5v n LYS 71 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 1d5v s PRO 72 N -1.05 4.55 0.00 1.97 0.04 -1.05 -4.58 135.00 134.88 1d5v s PRO 72 Ca 0.27 1.65 0.00 0.00 0.04 0.00 0.00 61.00 62.96 1d5v s PRO 72 Cb -0.02 -3.34 0.00 0.00 0.04 0.00 0.00 34.50 31.18 1d5v s PRO 72 CO -0.18 -0.03 0.00 0.41 0.04 0.00 0.00 177.00 177.24 1d5v n GLY 73 N 2.57 0.72 3.79 0.56 0.00 -1.26 -5.10 105.19 106.46 1d5v n GLY 73 Ca 0.05 -0.25 -0.32 0.00 0.00 0.00 0.00 46.02 45.50 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 2.96 -0.25 1.61 1.02 -1.26 -4.98 119.74 118.84 1d5v s LYS 74 Ca 0.00 1.25 0.21 0.00 0.02 0.00 0.00 55.97 57.45 1d5v s LYS 74 Cb 0.00 -1.98 0.50 0.00 -0.52 0.00 0.00 37.83 35.83 1d5v s LYS 74 CO 0.00 -1.10 1.13 0.41 -0.92 0.00 0.00 175.35 174.87 1d5v n GLY 75 N -0.91 2.46 3.44 -3.33 0.00 -1.26 -4.44 105.19 101.15 1d5v n GLY 75 Ca 0.09 -1.29 -0.16 0.00 0.00 0.00 0.00 46.02 44.67 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 -3.68 -0.53 0.25 1.61 1.04 -1.26 -4.36 113.70 106.77 1d5v s SER 76 Ca 0.31 0.42 -0.13 0.00 0.48 0.00 0.00 55.95 57.03 1d5v s SER 76 Cb 0.34 0.50 -0.00 0.00 0.10 0.00 0.00 66.02 66.96 1d5v s SER 76 CO -0.03 -0.65 0.49 -0.31 0.98 0.00 0.00 173.24 173.71 1d5v s TYR 77 N -1.79 0.34 -0.07 5.02 2.02 -0.67 -4.83 117.35 117.37 1d5v s TYR 77 Ca -0.09 -0.70 0.00 0.00 -0.37 0.00 0.00 57.07 55.91 1d5v s TYR 77 Cb -0.01 0.21 0.02 0.00 -0.40 0.00 0.00 41.96 41.79 1d5v s TYR 77 CO 0.04 -1.00 -0.05 -1.58 -1.57 0.00 0.00 175.55 171.39 1d5v s TRP 78 N -4.01 0.98 0.01 2.71 0.52 -1.05 -3.00 118.94 115.09 1d5v s TRP 78 Ca 0.22 -0.35 -0.19 0.00 0.02 0.00 0.00 56.10 55.80 1d5v s TRP 78 Cb -0.01 -0.88 0.04 0.00 -1.15 0.00 0.00 33.47 31.47 1d5v s TRP 78 CO 0.09 -0.31 0.41 -0.08 0.02 0.00 0.00 176.95 177.08 1d5v s THR 79 N 1.34 0.05 0.72 2.01 -1.32 -1.24 -1.83 115.64 115.37 1d5v s THR 79 Ca -0.04 -0.41 -0.11 0.00 -1.21 0.00 0.00 61.69 59.92 1d5v s THR 79 Cb -0.14 -0.84 0.02 0.00 -1.51 0.00 0.00 72.50 70.03 1d5v s THR 79 CO -0.03 -0.22 1.08 -0.76 -2.21 0.00 0.00 174.62 172.48 1d5v s LEU 80 N -1.66 2.89 1.06 9.08 1.43 -1.26 -3.65 118.68 126.57 1d5v s LEU 80 Ca -0.09 1.27 -0.15 0.00 -1.03 0.00 0.00 54.13 54.13 1d5v s LEU 80 Cb -0.02 -4.06 0.18 0.00 0.03 0.00 0.00 46.19 42.32 1d5v s LEU 80 CO 0.02 -1.45 0.35 0.47 0.23 0.00 0.00 176.35 175.96 1d5v n ASP 81 N -3.10 -3.06 -2.02 2.29 9.92 -1.26 -4.96 116.55 114.37 1d5v n ASP 81 Ca 0.07 -0.41 0.00 0.00 -0.53 0.00 0.00 54.79 53.92 1d5v n ASP 81 Cb 0.56 -0.80 0.00 0.00 -0.64 0.00 0.00 41.12 40.24 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 -2.15 2.53 -1.30 -0.24 -0.02 -1.26 -4.61 135.00 127.96 1d5v n PRO 82 Ca 0.06 0.00 -0.34 0.00 -2.02 0.00 0.00 63.50 61.20 1d5v n PRO 82 Cb 0.39 0.00 -0.06 0.00 -0.02 0.00 0.00 33.50 33.82 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 8.03 -4.57 2.55 8.00 -1.26 -4.84 116.55 124.47 1d5v n ASP 83 Ca 0.00 -2.60 -0.41 0.00 0.71 0.00 0.00 54.79 52.49 1d5v n ASP 83 Cb 0.00 -1.52 -0.02 0.00 -0.02 0.00 0.00 41.12 39.57 1d5v n ASP 83 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 1d5v s SER 84 N 2.00 6.59 0.00 -2.24 1.04 -1.26 -4.78 113.70 115.04 1d5v s SER 84 Ca 0.68 -1.86 0.00 0.00 0.48 0.00 0.00 55.95 55.26 1d5v s SER 84 Cb 0.21 -2.57 0.00 0.00 0.10 0.00 0.00 66.02 63.76 1d5v s SER 84 CO -0.05 -1.42 0.00 -1.22 0.98 0.00 0.00 173.24 171.52 1d5v n TYR 85 N 8.89 0.00 0.52 5.02 4.01 -1.26 -4.62 117.16 129.72 1d5v n TYR 85 Ca 0.40 0.00 0.11 0.00 -0.16 0.00 0.00 57.90 58.25 1d5v n TYR 85 Cb 0.49 -0.01 0.27 0.00 -0.31 0.00 0.00 39.34 39.77 1d5v n TYR 85 CO 0.00 0.00 0.00 0.09 -0.46 0.00 0.00 176.86 176.49 1d5v n ASN 86 N -1.08 2.90 -4.78 7.72 3.02 -1.26 -4.95 115.26 116.84 1d5v n ASN 86 Ca 0.00 -1.92 -0.41 0.00 -0.03 0.00 0.00 54.58 52.22 1d5v n ASN 86 Cb 0.00 -0.25 0.00 0.00 -0.61 0.00 0.00 39.78 38.92 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 -1.51 4.03 -0.34 3.52 -1.94 -1.26 -4.82 119.30 116.98 1d5v s MET 87 Ca 0.37 2.51 -0.03 0.00 -1.71 0.00 0.00 55.69 56.84 1d5v s MET 87 Cb 0.21 -2.90 0.07 0.00 2.01 0.00 0.00 34.83 34.21 1d5v s MET 87 CO 0.29 -0.57 0.09 -0.06 -0.01 0.00 0.00 175.02 174.75 1d5v s PHE 88 N -1.14 3.38 0.40 -0.03 0.08 -0.74 -4.94 117.98 114.99 1d5v s PHE 88 Ca 0.54 -2.02 0.32 0.00 0.12 0.00 0.00 56.93 55.89 1d5v s PHE 88 Cb -0.45 -2.53 1.61 0.00 -0.57 0.00 0.00 43.02 41.08 1d5v s PHE 88 CO 0.61 -0.85 2.11 0.93 -0.10 0.00 0.00 175.22 177.92 1d5v h GLU 89 N 8.04 0.00 -0.59 0.44 5.08 -1.94 0.04 114.58 125.65 1d5v h GLU 89 Ca -0.18 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.18 1d5v h GLU 89 Cb 1.06 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.31 1d5v h GLU 89 CO 0.60 0.07 0.00 -1.71 -1.00 0.00 0.00 179.01 176.97 1d5v n ASN 90 N -3.43 5.65 0.00 1.42 2.85 -1.26 -4.92 115.26 115.57 1d5v n ASN 90 Ca -0.02 -2.87 0.00 0.00 -0.11 0.00 0.00 54.58 51.58 1d5v n ASN 90 Cb 0.22 -0.68 0.00 0.00 1.24 0.00 0.00 39.78 40.57 1d5v n ASN 90 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1d5v n GLY 91 N 0.71 3.58 0.00 8.20 0.00 -0.00 -5.18 105.19 112.50 1d5v n GLY 91 Ca 0.28 -0.15 0.00 0.00 0.00 0.00 0.00 46.02 46.14 1d5v n GLY 91 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1d5v n SER 92 N 0.00 0.28 -0.03 1.61 7.64 -1.23 -4.86 113.62 117.04 1d5v n SER 92 Ca 0.00 0.00 0.03 0.00 1.01 0.00 0.00 58.87 59.91 1d5v n SER 92 Cb 0.00 0.00 -0.12 0.00 -1.01 0.00 0.00 64.21 63.08 1d5v n SER 92 CO 0.00 0.00 0.00 2.22 -3.01 0.00 0.00 175.04 174.25 1d5v n PHE 93 N 0.00 0.00 -1.76 1.43 -1.74 -1.26 -1.79 117.46 112.34 1d5v n PHE 93 Ca 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 57.45 56.89 1d5v n PHE 93 Cb 0.00 -0.45 0.00 0.00 1.52 0.00 0.00 39.48 40.55 1d5v n PHE 93 CO 0.00 0.00 0.00 -0.11 -0.56 0.00 0.00 176.76 176.09