#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 4.36 0.12 4.03 1.43 -1.26 -5.08 118.68 122.28 1d5v s LEU 2 Ca 0.00 1.36 -0.02 0.00 -1.03 0.00 0.00 54.13 54.44 1d5v s LEU 2 Cb 0.00 -3.50 -0.03 0.00 0.03 0.00 0.00 46.19 42.69 1d5v s LEU 2 CO 0.00 0.06 0.08 -0.69 0.23 0.00 0.00 176.35 176.03 1d5v s VAL 3 N -1.48 0.12 0.27 -1.59 1.01 -1.26 -5.10 120.40 112.37 1d5v s VAL 3 Ca 0.41 -1.79 -0.14 0.00 0.00 0.00 0.00 61.98 60.46 1d5v s VAL 3 Cb -0.17 -1.89 -0.08 0.00 0.00 0.00 0.00 36.38 34.24 1d5v s VAL 3 CO 0.21 -0.54 0.67 -0.54 0.00 0.00 0.00 175.10 174.90 1d5v s LYS 4 N -4.01 3.98 0.69 2.72 3.01 -1.26 -4.86 119.74 120.02 1d5v s LYS 4 Ca 0.19 0.58 -0.11 0.00 -1.01 0.00 0.00 55.97 55.63 1d5v s LYS 4 Cb 0.07 -2.57 0.01 0.00 -1.01 0.00 0.00 37.83 34.32 1d5v s LYS 4 CO -0.01 0.25 1.06 -1.25 0.51 0.00 0.00 175.35 175.91 1d5v s PRO 5 N -2.75 2.96 0.00 -1.68 0.04 -1.26 -4.95 135.00 127.37 1d5v s PRO 5 Ca 0.50 0.90 0.22 0.00 0.04 0.00 0.00 61.00 62.67 1d5v s PRO 5 Cb -0.12 -2.00 1.30 0.00 0.04 0.00 0.00 34.50 33.72 1d5v s PRO 5 CO 0.19 -1.07 1.72 -0.35 0.04 0.00 0.00 177.00 177.53 1d5v n PRO 6 N -3.10 0.62 -2.40 0.56 -0.04 -1.26 -4.84 135.00 124.55 1d5v n PRO 6 Ca 0.07 0.02 -0.38 0.00 -0.04 0.00 0.00 63.50 63.17 1d5v n PRO 6 Cb 0.54 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 32.47 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 -2.13 3.25 0.74 0.54 2.02 -1.26 -5.01 117.35 115.50 1d5v s TYR 7 Ca 0.31 1.61 -0.11 0.00 -0.37 0.00 0.00 57.07 58.51 1d5v s TYR 7 Cb 0.15 -3.31 0.04 0.00 -0.40 0.00 0.00 41.96 38.44 1d5v s TYR 7 CO 0.28 -0.97 1.08 -1.54 -1.57 0.00 0.00 175.55 172.83 1d5v s SER 8 N -1.16 5.03 0.25 2.29 1.04 -1.26 -4.80 113.70 115.09 1d5v s SER 8 Ca 0.54 1.36 -0.06 0.00 0.48 0.00 0.00 55.95 58.27 1d5v s SER 8 Cb -0.29 -2.17 0.26 0.00 0.10 0.00 0.00 66.02 63.93 1d5v s SER 8 CO 0.37 -1.63 1.93 1.88 0.98 0.00 0.00 173.24 176.76 1d5v h TYR 9 N -0.85 1.26 -0.66 5.02 0.05 -1.98 -0.27 116.97 119.54 1d5v h TYR 9 Ca -0.46 0.03 -0.09 0.00 0.05 0.00 0.00 58.73 58.26 1d5v h TYR 9 Cb 1.24 -0.43 -0.03 0.00 1.01 0.00 0.00 36.73 38.53 1d5v h TYR 9 CO 0.53 0.80 0.07 0.82 -1.05 0.00 0.00 178.16 179.33 1d5v h ILE 10 N 1.36 1.27 -0.61 -2.88 1.08 -1.99 -2.73 117.51 113.00 1d5v h ILE 10 Ca 0.36 -1.09 -0.08 0.00 -0.39 0.00 0.00 64.86 63.67 1d5v h ILE 10 Cb -0.15 0.68 -0.02 0.00 -3.07 0.00 0.00 36.82 34.26 1d5v h ILE 10 CO -0.08 0.40 0.06 0.00 -0.69 0.00 0.00 178.15 177.84 1d5v h ALA 11 N 1.03 0.82 -0.99 1.87 0.00 -1.67 -1.99 119.26 118.34 1d5v h ALA 11 Ca 0.20 -0.28 0.01 0.00 0.00 0.00 0.00 54.91 54.83 1d5v h ALA 11 Cb 0.49 -0.23 -0.05 0.00 0.00 0.00 0.00 17.79 18.00 1d5v h ALA 11 CO 0.02 0.62 0.66 -0.07 0.00 0.00 0.00 179.25 180.47 1d5v h LEU 12 N 0.95 1.13 -0.41 0.00 3.38 -0.87 0.21 115.31 119.71 1d5v h LEU 12 Ca 0.18 -0.03 -0.03 0.00 0.09 0.00 0.00 57.88 58.09 1d5v h LEU 12 Cb 0.49 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.94 1d5v h LEU 12 CO 0.02 0.82 0.14 0.40 0.09 0.00 0.00 178.44 179.91 1d5v h ILE 13 N 1.34 1.21 -1.00 1.22 2.04 -1.21 -0.22 117.51 120.89 1d5v h ILE 13 Ca 0.36 -0.69 0.01 0.00 1.00 0.00 0.00 64.86 65.54 1d5v h ILE 13 Cb -0.16 0.89 -0.05 0.00 -0.74 0.00 0.00 36.82 36.77 1d5v h ILE 13 CO -0.08 0.24 0.66 0.74 0.00 0.00 0.00 178.15 179.71 1d5v h THR 14 N 0.52 1.26 -0.47 -0.27 2.02 -0.54 -2.26 112.91 113.16 1d5v h THR 14 Ca 0.13 -0.48 -0.13 0.00 0.77 0.00 0.00 66.41 66.70 1d5v h THR 14 Cb 0.24 -0.21 -0.01 0.00 -1.74 0.00 0.00 68.15 66.43 1d5v h THR 14 CO -0.01 0.25 -0.22 0.24 0.37 0.00 0.00 175.52 176.15 1d5v h MET 15 N 1.36 0.98 -0.34 6.66 2.86 -0.16 -2.88 114.93 123.41 1d5v h MET 15 Ca 0.37 -0.42 0.00 0.00 -2.06 0.00 0.00 59.70 57.59 1d5v h MET 15 Cb -0.15 -0.03 -0.02 0.00 0.06 0.00 0.00 31.60 31.46 1d5v h MET 15 CO -0.08 1.09 0.22 0.00 1.06 0.00 0.00 176.91 179.21 1d5v h ALA 16 N 0.90 0.43 0.10 6.32 0.00 -0.49 1.05 119.26 127.56 1d5v h ALA 16 Ca 0.11 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 1d5v h ALA 16 Cb 0.80 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.45 1d5v h ALA 16 CO 0.07 -0.11 -0.05 0.82 0.00 0.00 0.00 179.25 179.98 1d5v h ILE 17 N 0.46 0.93 -0.37 0.00 2.04 -1.42 0.78 117.51 119.93 1d5v h ILE 17 Ca 0.12 -0.09 -0.16 0.00 1.00 0.00 0.00 64.86 65.73 1d5v h ILE 17 Cb -0.05 0.99 -0.01 0.00 -0.74 0.00 0.00 36.82 37.01 1d5v h ILE 17 CO -0.03 0.02 -0.41 1.56 0.00 0.00 0.00 178.15 179.29 1d5v h GLN 18 N -0.17 0.93 -0.22 2.37 4.20 -1.35 -2.97 115.11 117.90 1d5v h GLN 18 Ca -0.01 -0.51 -0.05 0.00 0.06 0.00 0.00 58.65 58.14 1d5v h GLN 18 Cb 0.13 0.02 -0.01 0.00 0.30 0.00 0.00 27.48 27.92 1d5v h GLN 18 CO 0.02 1.16 -0.08 -0.91 -0.67 0.00 0.00 178.83 178.35 1d5v h ASN 19 N 0.75 0.33 -3.16 1.46 -0.26 0.13 -3.40 115.58 111.43 1d5v h ASN 19 Ca 0.05 -0.06 -0.57 0.00 -0.56 0.00 0.00 56.30 55.16 1d5v h ASN 19 Cb 1.01 -0.09 -0.05 0.00 -1.06 0.00 0.00 38.32 38.13 1d5v h ASN 19 CO 0.10 0.45 0.89 0.00 -1.06 0.00 0.00 177.43 177.81 1d5v s ALA 20 N -4.82 3.50 0.47 -0.83 0.00 0.25 -4.88 121.76 115.45 1d5v s ALA 20 Ca -0.06 0.11 0.30 0.00 0.00 0.00 0.00 51.96 52.31 1d5v s ALA 20 Cb 0.15 -3.69 1.39 0.00 0.00 0.00 0.00 23.12 20.97 1d5v s ALA 20 CO 0.74 -1.48 1.74 -1.35 0.00 0.00 0.00 175.76 175.41 1d5v h PRO 21 N 8.44 0.15 -4.65 0.00 0.11 -1.83 -3.32 132.00 130.91 1d5v h PRO 21 Ca -0.23 -0.01 -0.69 0.00 0.11 0.00 0.00 66.00 65.18 1d5v h PRO 21 Cb 1.08 -0.03 -0.20 0.00 0.11 0.00 0.00 31.00 31.96 1d5v h PRO 21 CO 1.02 0.10 -0.46 -2.00 -0.21 0.00 0.00 178.00 176.44 1d5v s GLU 22 N -5.20 3.33 0.35 1.05 2.12 -1.26 -4.94 118.70 114.15 1d5v s GLU 22 Ca -0.07 -0.76 0.14 0.00 0.36 0.00 0.00 54.97 54.64 1d5v s GLU 22 Cb 0.25 -3.86 0.66 0.00 0.26 0.00 0.00 34.13 31.45 1d5v s GLU 22 CO 0.81 -0.54 1.76 0.87 -0.54 0.00 0.00 175.26 177.63 1d5v h LYS 23 N 8.53 0.00 -4.97 4.30 1.57 -1.78 -3.34 116.57 120.88 1d5v h LYS 23 Ca -0.30 0.00 -0.66 0.00 -1.87 0.00 0.00 60.65 57.82 1d5v h LYS 23 Cb 1.15 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 33.41 1d5v h LYS 23 CO 0.66 0.43 2.51 1.63 -0.57 0.00 0.00 179.45 184.10 1d5v n LYS 24 N -3.86 2.80 -3.95 3.15 5.02 -1.26 -4.42 118.16 115.65 1d5v n LYS 24 Ca -0.01 -2.83 -0.33 0.00 -2.02 0.00 0.00 58.31 53.12 1d5v n LYS 24 Cb 0.48 -3.39 -0.05 0.00 -0.02 0.00 0.00 35.03 32.05 1d5v n LYS 24 CO 0.00 0.00 0.00 -1.50 -0.52 0.00 0.00 177.40 175.38 1d5v s ILE 25 N 4.40 5.27 0.71 -0.18 2.07 -1.25 -4.81 121.20 127.41 1d5v s ILE 25 Ca 0.53 -0.29 -0.11 0.00 -1.41 0.00 0.00 60.65 59.37 1d5v s ILE 25 Cb 0.09 -3.48 0.02 0.00 0.13 0.00 0.00 42.46 39.21 1d5v s ILE 25 CO 0.02 0.27 1.10 -0.89 -1.91 0.00 0.00 174.94 173.54 1d5v s THR 26 N -1.35 3.39 0.13 4.00 2.01 -1.26 -2.25 115.64 120.31 1d5v s THR 26 Ca 0.28 0.45 -0.18 0.00 0.31 0.00 0.00 61.69 62.55 1d5v s THR 26 Cb -0.13 -3.45 -0.03 0.00 0.01 0.00 0.00 72.50 68.90 1d5v s THR 26 CO 0.20 -0.59 1.79 0.25 -0.69 0.00 0.00 174.62 175.59 1d5v h LEU 27 N -0.68 0.33 -0.95 4.42 5.85 -1.90 -2.20 115.31 120.17 1d5v h LEU 27 Ca -0.45 -0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.26 1d5v h LEU 27 Cb 1.26 -0.08 -0.05 0.00 0.37 0.00 0.00 40.66 42.16 1d5v h LEU 27 CO 0.64 0.24 0.58 0.78 -0.34 0.00 0.00 178.44 180.33 1d5v h ASN 28 N 0.38 1.14 -1.01 1.25 2.35 -1.96 -2.67 115.58 115.08 1d5v h ASN 28 Ca 0.10 -0.07 0.01 0.00 -0.55 0.00 0.00 56.30 55.80 1d5v h ASN 28 Cb -0.04 -0.29 -0.05 0.00 0.05 0.00 0.00 38.32 37.99 1d5v h ASN 28 CO -0.02 0.87 0.67 1.23 -1.65 0.00 0.00 177.43 178.53 1d5v h GLY 29 N 1.31 1.42 1.01 2.83 0.00 -1.77 -2.43 103.07 105.43 1d5v h GLY 29 Ca 0.34 -0.53 0.01 0.00 0.00 0.00 0.00 47.33 47.15 1d5v h GLY 29 CO -0.07 0.52 0.41 -2.22 0.00 0.00 0.00 176.54 175.18 1d5v h ILE 30 N 1.37 1.16 -0.92 2.60 2.04 -1.10 -1.99 117.51 120.67 1d5v h ILE 30 Ca 0.37 -0.29 0.01 0.00 1.00 0.00 0.00 64.86 65.95 1d5v h ILE 30 Cb -0.16 0.25 -0.05 0.00 -0.74 0.00 0.00 36.82 36.13 1d5v h ILE 30 CO -0.08 0.15 0.60 1.88 0.00 0.00 0.00 178.15 180.70 1d5v h TYR 31 N 0.83 1.16 -0.57 1.37 0.05 -1.40 -2.43 116.97 115.98 1d5v h TYR 31 Ca 0.23 0.02 -0.11 0.00 0.05 0.00 0.00 58.73 58.92 1d5v h TYR 31 Cb -0.10 -0.39 -0.02 0.00 1.01 0.00 0.00 36.73 37.23 1d5v h TYR 31 CO -0.03 0.74 -0.07 0.37 -1.05 0.00 0.00 178.16 178.12 1d5v h GLN 32 N 1.25 1.06 -0.34 4.88 -0.00 -1.21 -3.04 115.11 117.71 1d5v h GLN 32 Ca 0.34 -0.37 0.00 0.00 -0.00 0.00 0.00 58.65 58.61 1d5v h GLN 32 Cb -0.13 -0.08 -0.02 0.00 0.00 0.00 0.00 27.48 27.26 1d5v h GLN 32 CO -0.07 1.07 0.22 0.35 0.00 0.00 0.00 178.83 180.41 1d5v h PHE 33 N 0.95 0.43 -0.90 3.99 3.57 -0.92 -2.77 116.94 121.29 1d5v h PHE 33 Ca 0.15 0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.67 1d5v h PHE 33 Cb 0.64 -0.14 -0.04 0.00 2.79 0.00 0.00 35.95 39.19 1d5v h PHE 33 CO 0.04 0.27 0.60 0.82 -2.23 0.00 0.00 178.31 177.81 1d5v h ILE 34 N 0.46 1.23 -1.00 1.41 2.04 -1.40 -2.40 117.51 117.85 1d5v h ILE 34 Ca 0.12 -0.42 0.01 0.00 1.00 0.00 0.00 64.86 65.57 1d5v h ILE 34 Cb -0.05 -0.09 -0.05 0.00 -0.74 0.00 0.00 36.82 35.89 1d5v h ILE 34 CO -0.03 0.22 0.66 0.24 0.00 0.00 0.00 178.15 179.24 1d5v h MET 35 N 1.22 1.32 0.16 2.37 2.86 -1.39 0.12 114.93 121.60 1d5v h MET 35 Ca 0.33 -0.09 -0.01 0.00 -2.06 0.00 0.00 59.70 57.88 1d5v h MET 35 Cb -0.14 -0.30 0.00 0.00 0.06 0.00 0.00 31.60 31.22 1d5v h MET 35 CO -0.07 0.88 -0.08 -0.44 1.06 0.00 0.00 176.91 178.26 1d5v h ASP 36 N 1.36 -0.18 -0.27 1.22 3.32 -1.21 -3.17 116.42 117.49 1d5v h ASP 36 Ca 0.37 -0.31 -0.12 0.00 0.02 0.00 0.00 57.03 56.99 1d5v h ASP 36 Cb -0.15 0.05 -0.00 0.00 0.22 0.00 0.00 39.33 39.45 1d5v h ASP 36 CO -0.08 0.25 -0.29 0.03 -1.72 0.00 0.00 179.24 177.43 1d5v h ARG 37 N -0.66 0.67 -4.58 3.56 2.47 -1.41 -3.39 114.38 111.04 1d5v h ARG 37 Ca -0.02 -0.36 -0.68 0.00 -1.26 0.00 0.00 59.98 57.65 1d5v h ARG 37 Cb 0.48 0.02 -0.36 0.00 -1.65 0.00 0.00 29.97 28.47 1d5v h ARG 37 CO 0.04 0.97 -0.61 -0.06 0.56 0.00 0.00 179.97 180.87 1d5v s PHE 38 N -4.32 3.58 -1.37 3.04 0.08 0.41 -4.95 117.98 114.45 1d5v s PHE 38 Ca -0.12 -2.48 0.30 0.00 0.12 0.00 0.00 56.93 54.75 1d5v s PHE 38 Cb 0.08 -2.99 1.45 0.00 -0.57 0.00 0.00 43.02 40.99 1d5v s PHE 38 CO 0.82 -0.94 2.02 -0.35 -0.10 0.00 0.00 175.22 176.67 1d5v n PRO 39 N 4.52 0.37 -0.17 0.24 -0.04 -1.20 -3.58 135.00 135.14 1d5v n PRO 39 Ca -0.02 -0.02 0.01 0.00 -0.04 0.00 0.00 63.50 63.43 1d5v n PRO 39 Cb 0.42 -1.50 0.28 0.00 -0.04 0.00 0.00 33.50 32.66 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 0.04 0.86 0.00 0.54 0.04 -1.89 -0.44 116.94 116.09 1d5v h PHE 40 Ca 0.00 0.02 -0.02 0.00 2.80 0.00 0.00 57.97 60.77 1d5v h PHE 40 Cb 0.33 -0.29 -0.00 0.00 2.20 0.00 0.00 35.95 38.18 1d5v h PHE 40 CO 0.00 0.54 -0.12 1.88 -0.60 0.00 0.00 178.31 180.01 1d5v h TYR 41 N 0.92 0.00 -0.96 -0.55 -1.99 -1.82 -2.58 116.97 109.99 1d5v h TYR 41 Ca 0.25 0.00 0.01 0.00 2.00 0.00 0.00 58.73 60.99 1d5v h TYR 41 Cb -0.11 0.00 -0.05 0.00 2.00 0.00 0.00 36.73 38.58 1d5v h TYR 41 CO -0.00 0.12 0.63 0.00 -0.00 0.00 0.00 178.16 178.91 1d5v h ARG 42 N 0.00 1.27 -0.37 4.88 3.08 -1.29 -2.31 114.38 119.64 1d5v h ARG 42 Ca -0.00 -0.08 -0.17 0.00 0.07 0.00 0.00 59.98 59.80 1d5v h ARG 42 Cb 0.32 -0.28 -0.00 0.00 0.08 0.00 0.00 29.97 30.08 1d5v h ARG 42 CO 0.02 0.84 -0.42 0.93 -1.07 0.00 0.00 179.97 180.27 1d5v h GLU 43 N 1.30 0.94 -4.23 0.04 4.39 -1.55 -3.38 114.58 112.09 1d5v h GLU 43 Ca 0.35 -0.51 -0.74 0.00 0.34 0.00 0.00 59.36 58.80 1d5v h GLU 43 Cb -0.15 0.03 -0.27 0.00 -0.10 0.00 0.00 28.75 28.26 1d5v h GLU 43 CO -0.08 1.17 -0.33 1.21 -1.16 0.00 0.00 179.01 179.83 1d5v s ASN 44 N -6.87 5.92 -0.03 1.42 3.84 -0.87 -4.94 114.94 113.42 1d5v s ASN 44 Ca -0.11 -1.79 -0.02 0.00 0.21 0.00 0.00 52.86 51.15 1d5v s ASN 44 Cb 0.11 -2.10 -0.01 0.00 -0.55 0.00 0.00 41.25 38.70 1d5v s ASN 44 CO 0.89 -0.74 -0.04 0.29 -2.79 0.00 0.00 177.10 174.70 1d5v n LYS 45 N 5.07 0.08 -1.98 0.43 5.02 -1.23 -4.65 118.16 120.90 1d5v n LYS 45 Ca -0.11 0.18 -0.41 0.00 -2.02 0.00 0.00 58.31 55.95 1d5v n LYS 45 Cb 0.41 -0.79 -0.01 0.00 -0.02 0.00 0.00 35.03 34.61 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 -1.26 4.25 0.00 1.97 -0.21 -1.26 -3.44 119.66 119.71 1d5v s GLN 46 Ca -0.04 2.38 0.00 0.00 0.02 0.00 0.00 55.36 57.72 1d5v s GLN 46 Cb 0.00 -3.02 0.00 0.00 1.00 0.00 0.00 33.01 30.99 1d5v s GLN 46 CO 0.05 -0.34 0.00 0.41 -2.12 0.00 0.00 175.29 173.29 1d5v n GLY 47 N 0.65 2.84 0.09 3.09 0.00 -1.26 -4.79 105.19 105.80 1d5v n GLY 47 Ca 0.00 -0.80 -0.03 0.00 0.00 0.00 0.00 46.02 45.19 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 0.00 -0.73 1.61 5.08 -1.87 -3.32 115.95 116.71 1d5v h TRP 48 Ca 0.00 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.97 1d5v h TRP 48 Cb 0.00 0.00 -0.04 0.00 -3.00 0.00 0.00 29.16 26.12 1d5v h TRP 48 CO 0.00 0.78 0.47 1.96 -1.28 0.00 0.00 178.44 180.37 1d5v h GLN 49 N 0.00 0.98 0.03 0.12 4.20 -1.86 -3.01 115.11 115.57 1d5v h GLN 49 Ca -0.11 -0.07 -0.22 0.00 0.06 0.00 0.00 58.65 58.31 1d5v h GLN 49 Cb 1.69 -0.21 -0.01 0.00 0.30 0.00 0.00 27.48 29.25 1d5v h GLN 49 CO 0.08 0.67 -0.97 -0.91 -0.67 0.00 0.00 178.83 177.03 1d5v h ASN 50 N 1.00 0.35 -1.00 1.46 2.35 -1.89 -3.31 115.58 114.54 1d5v h ASN 50 Ca 0.27 -0.31 0.01 0.00 -0.55 0.00 0.00 56.30 55.72 1d5v h ASN 50 Cb -0.08 -0.11 -0.05 0.00 0.05 0.00 0.00 38.32 38.13 1d5v h ASN 50 CO -0.05 1.14 0.66 -1.28 -1.65 0.00 0.00 177.43 176.24 1d5v h SER 51 N 0.13 1.14 0.79 5.81 0.87 -1.63 0.50 113.55 121.17 1d5v h SER 51 Ca -0.07 -0.03 -0.04 0.00 -1.23 0.00 0.00 61.79 60.42 1d5v h SER 51 Cb 1.62 -0.28 0.01 0.00 -0.44 0.00 0.00 62.40 63.31 1d5v h SER 51 CO 0.15 0.82 -0.38 0.40 -0.53 0.00 0.00 176.83 177.30 1d5v h ILE 52 N 1.35 0.10 -0.13 2.23 1.08 -1.63 -2.16 117.51 118.35 1d5v h ILE 52 Ca 0.37 -0.17 -0.13 0.00 -0.39 0.00 0.00 64.86 64.55 1d5v h ILE 52 Cb -0.15 0.12 -0.01 0.00 -3.07 0.00 0.00 36.82 33.71 1d5v h ILE 52 CO -0.08 0.01 -0.47 0.08 -0.69 0.00 0.00 178.15 176.99 1d5v h ARG 53 N -1.21 0.33 -1.01 2.37 0.11 -1.67 -2.97 114.38 110.33 1d5v h ARG 53 Ca -0.11 -0.18 0.01 0.00 0.10 0.00 0.00 59.98 59.80 1d5v h ARG 53 Cb 0.83 0.01 -0.05 0.00 1.11 0.00 0.00 29.97 31.87 1d5v h ARG 53 CO 0.18 0.74 0.67 1.25 0.10 0.00 0.00 179.97 182.90 1d5v h HIS 54 N 0.27 1.27 0.00 4.08 2.76 -0.90 -1.75 115.15 120.88 1d5v h HIS 54 Ca 0.02 0.03 -0.02 0.00 -2.20 0.00 0.00 60.37 58.20 1d5v h HIS 54 Cb 0.93 -0.43 -0.00 0.00 1.55 0.00 0.00 27.41 29.46 1d5v h HIS 54 CO 0.02 0.80 -0.08 -0.91 -1.30 0.00 0.00 177.93 176.46 1d5v h ASN 55 N 1.36 0.00 0.00 3.26 2.35 -1.22 -3.22 115.58 118.11 1d5v h ASN 55 Ca 0.37 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.12 1d5v h ASN 55 Cb -0.16 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.21 1d5v h ASN 55 CO -0.08 0.08 -0.00 -0.07 -1.65 0.00 0.00 177.43 175.70 1d5v h LEU 56 N 0.00 -0.00 -1.01 1.61 3.38 -1.26 0.15 115.31 118.18 1d5v h LEU 56 Ca -0.00 0.00 0.01 0.00 0.09 0.00 0.00 57.88 57.98 1d5v h LEU 56 Cb 0.56 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.26 1d5v h LEU 56 CO 0.01 -0.00 0.67 0.28 0.09 0.00 0.00 178.44 179.48 1d5v h SER 57 N -0.00 1.16 -0.61 -0.43 0.02 -1.66 -1.96 113.55 110.07 1d5v h SER 57 Ca 0.00 -0.03 -0.10 0.00 -0.84 0.00 0.00 61.79 60.82 1d5v h SER 57 Cb 0.00 -0.29 -0.02 0.00 0.14 0.00 0.00 62.40 62.23 1d5v h SER 57 CO -0.00 0.84 -0.01 -0.07 -1.14 0.00 0.00 176.83 176.45 1d5v h LEU 58 N 1.37 1.07 -8.90 5.07 4.07 -1.55 -3.40 115.31 113.03 1d5v h LEU 58 Ca 0.37 -0.31 -0.57 0.00 0.08 0.00 0.00 57.88 57.45 1d5v h LEU 58 Cb -0.16 -0.29 -0.06 0.00 1.08 0.00 0.00 40.66 41.24 1d5v h LEU 58 CO -0.08 1.12 0.94 0.20 -1.08 0.00 0.00 178.44 179.54 1d5v s ASN 59 N -6.58 6.70 0.00 -0.43 0.01 0.51 -4.85 114.94 110.29 1d5v s ASN 59 Ca -0.12 0.99 0.26 0.00 -0.71 0.00 0.00 52.86 53.29 1d5v s ASN 59 Cb 0.14 -2.54 0.71 0.00 0.41 0.00 0.00 41.25 39.97 1d5v s ASN 59 CO 0.86 -1.10 1.54 -0.62 -1.51 0.00 0.00 177.10 176.27 1d5v n GLU 60 N 7.37 0.63 -0.19 -0.60 1.02 -1.26 -3.98 120.64 123.64 1d5v n GLU 60 Ca 0.14 -0.37 -0.03 0.00 -0.02 0.00 0.00 57.16 56.89 1d5v n GLU 60 Cb 0.47 -1.49 0.18 0.00 -0.02 0.00 0.00 31.44 30.58 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 -5.45 3.37 -0.10 0.00 0.08 -1.26 -4.59 117.98 110.05 1d5v s PHE 62 Ca -0.11 1.42 0.04 0.00 0.12 0.00 0.00 56.93 58.41 1d5v s PHE 62 Cb 0.16 -2.82 0.00 0.00 -0.57 0.00 0.00 43.02 39.79 1d5v s PHE 62 CO 0.80 -0.68 -0.24 0.08 -0.10 0.00 0.00 175.22 175.08 1d5v s VAL 63 N -2.78 2.04 0.38 -0.44 1.01 -1.19 -5.03 120.40 114.39 1d5v s VAL 63 Ca 0.59 -1.01 -0.26 0.00 0.00 0.00 0.00 61.98 61.29 1d5v s VAL 63 Cb -0.12 -1.77 -0.09 0.00 0.00 0.00 0.00 36.38 34.41 1d5v s VAL 63 CO 0.41 0.56 1.19 -0.54 0.00 0.00 0.00 175.10 176.72 1d5v s LYS 64 N 0.35 4.15 -0.49 2.72 1.02 -1.26 -3.48 119.74 122.75 1d5v s LYS 64 Ca -0.19 1.92 0.03 0.00 0.02 0.00 0.00 55.97 57.75 1d5v s LYS 64 Cb -0.18 -2.80 0.14 0.00 -0.52 0.00 0.00 37.83 34.48 1d5v s LYS 64 CO 0.09 -0.26 0.28 0.08 -0.92 0.00 0.00 175.35 174.62 1d5v s VAL 65 N -1.33 1.77 0.89 3.17 1.01 -0.40 -4.97 120.40 120.53 1d5v s VAL 65 Ca 0.54 -2.92 -0.14 0.00 0.00 0.00 0.00 61.98 59.46 1d5v s VAL 65 Cb -0.33 -2.22 0.04 0.00 0.00 0.00 0.00 36.38 33.87 1d5v s VAL 65 CO 0.42 -0.91 -0.21 -2.65 0.00 0.00 0.00 175.10 171.75 1d5v n PRO 66 N 3.23 -1.11 -3.80 2.72 -0.02 -1.26 -2.26 135.00 132.49 1d5v n PRO 66 Ca 0.10 -0.32 -0.25 0.00 -2.02 0.00 0.00 63.50 61.01 1d5v n PRO 66 Cb 0.35 -1.28 -0.03 0.00 -0.02 0.00 0.00 33.50 32.52 1d5v n PRO 66 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 1d5v s ARG 67 N -2.77 3.47 0.99 -0.52 0.52 -1.26 -4.62 118.95 114.77 1d5v s ARG 67 Ca 0.29 -0.53 -0.12 0.00 -0.52 0.00 0.00 55.73 54.86 1d5v s ARG 67 Cb -0.02 -2.87 0.19 0.00 0.52 0.00 0.00 34.95 32.77 1d5v s ARG 67 CO 0.36 0.41 1.08 -0.51 0.02 0.00 0.00 175.30 176.66 1d5v s ASP 68 N -3.52 2.51 0.47 0.23 1.01 -1.26 -4.84 116.67 111.27 1d5v s ASP 68 Ca 0.36 1.55 0.22 0.00 0.71 0.00 0.00 52.55 55.39 1d5v s ASP 68 Cb -0.10 -2.22 1.22 0.00 1.01 0.00 0.00 42.92 42.83 1d5v s ASP 68 CO 0.30 -3.25 1.90 0.44 0.21 0.00 0.00 175.17 174.76 1d5v h ASP 69 N -1.97 0.24 -0.51 0.27 3.32 -2.06 -1.39 116.42 114.32 1d5v h ASP 69 Ca -0.53 0.02 -0.63 0.00 0.02 0.00 0.00 57.03 55.91 1d5v h ASP 69 Cb 1.30 -0.02 -0.05 0.00 0.22 0.00 0.00 39.33 40.78 1d5v h ASP 69 CO 0.52 0.10 2.62 0.29 -1.72 0.00 0.00 179.24 181.05 1d5v n LYS 70 N -4.43 3.76 -2.56 3.56 5.02 -1.26 -4.94 118.16 117.31 1d5v n LYS 70 Ca 0.17 -2.55 -0.42 0.00 -2.02 0.00 0.00 58.31 53.49 1d5v n LYS 70 Cb 0.72 -2.60 -0.03 0.00 -0.02 0.00 0.00 35.03 33.10 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 0.51 4.51 0.00 1.97 0.00 -0.53 -4.92 119.74 121.28 1d5v s LYS 71 Ca 0.63 1.60 0.23 0.00 0.00 0.00 0.00 55.97 58.43 1d5v s LYS 71 Cb 0.21 -3.39 1.15 0.00 0.00 0.00 0.00 37.83 35.80 1d5v s LYS 71 CO -0.08 -0.12 1.77 -0.35 0.00 0.00 0.00 175.35 176.57 1d5v n PRO 72 N 3.74 1.28 -0.64 1.78 -0.04 -1.26 -4.89 135.00 134.98 1d5v n PRO 72 Ca 0.07 -0.42 0.00 0.00 -0.04 0.00 0.00 63.50 63.11 1d5v n PRO 72 Cb 0.48 -1.38 0.00 0.00 -0.04 0.00 0.00 33.50 32.56 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 0.72 3.38 0.55 0.00 -1.26 -5.12 105.19 104.43 1d5v n GLY 73 Ca 0.17 -0.43 -0.19 0.00 0.00 0.00 0.00 46.02 45.57 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 -1.71 1.53 1.24 1.61 1.02 -1.26 -5.15 119.74 117.01 1d5v s LYS 74 Ca 0.00 -1.84 -0.20 0.00 0.02 0.00 0.00 55.97 53.95 1d5v s LYS 74 Cb 0.00 -0.52 0.30 0.00 -0.52 0.00 0.00 37.83 37.09 1d5v s LYS 74 CO 0.00 -0.25 1.11 0.20 -0.92 0.00 0.00 175.35 175.49 1d5v s GLY 75 N -3.39 1.59 0.32 -3.33 0.00 -1.26 -4.98 107.32 96.26 1d5v s GLY 75 Ca 0.37 -1.05 -0.27 0.00 0.00 0.00 0.00 44.72 43.77 1d5v s GLY 75 CO 0.15 -0.12 0.97 -1.35 0.00 0.00 0.00 173.10 172.74 1d5v s SER 76 N -3.97 7.31 0.54 1.64 1.04 -1.26 -4.86 113.70 114.14 1d5v s SER 76 Ca 0.72 1.90 -0.15 0.00 0.48 0.00 0.00 55.95 58.90 1d5v s SER 76 Cb -0.08 -2.59 -0.07 0.00 0.10 0.00 0.00 66.02 63.39 1d5v s SER 76 CO 0.56 -0.09 0.99 -0.31 0.98 0.00 0.00 173.24 175.37 1d5v s TYR 77 N -1.54 3.51 -0.02 5.02 2.02 -0.96 -4.27 117.35 121.11 1d5v s TYR 77 Ca 0.49 1.40 0.08 0.00 -0.37 0.00 0.00 57.07 58.67 1d5v s TYR 77 Cb -0.21 -2.76 -0.02 0.00 -0.40 0.00 0.00 41.96 38.57 1d5v s TYR 77 CO 0.26 -0.46 -0.26 -1.58 -1.57 0.00 0.00 175.55 171.94 1d5v s TRP 78 N -2.79 2.33 0.08 2.71 0.52 -0.95 -1.28 118.94 119.56 1d5v s TRP 78 Ca 0.57 -0.44 -0.07 0.00 0.02 0.00 0.00 56.10 56.19 1d5v s TRP 78 Cb -0.10 -1.50 -0.01 0.00 -1.15 0.00 0.00 33.47 30.70 1d5v s TRP 78 CO 0.38 -0.04 0.13 -0.08 0.02 0.00 0.00 176.95 177.37 1d5v s THR 79 N -0.61 0.16 0.89 2.01 -1.32 -1.23 -3.92 115.64 111.62 1d5v s THR 79 Ca 0.10 -1.37 -0.12 0.00 -1.21 0.00 0.00 61.69 59.09 1d5v s THR 79 Cb -0.10 -1.43 0.13 0.00 -1.51 0.00 0.00 72.50 69.59 1d5v s THR 79 CO -0.01 -0.72 1.14 -0.76 -2.21 0.00 0.00 174.62 172.06 1d5v s LEU 80 N -2.89 2.12 0.58 9.08 1.43 -1.26 -3.15 118.68 124.59 1d5v s LEU 80 Ca 0.06 0.94 -0.20 0.00 -1.03 0.00 0.00 54.13 53.90 1d5v s LEU 80 Cb 0.06 -3.30 -0.04 0.00 0.03 0.00 0.00 46.19 42.94 1d5v s LEU 80 CO -0.10 -2.41 1.22 0.47 0.23 0.00 0.00 176.35 175.76 1d5v n ASP 81 N -3.67 1.96 -3.66 2.29 9.92 -1.26 -4.83 116.55 117.30 1d5v n ASP 81 Ca 0.07 0.90 0.00 0.00 -0.53 0.00 0.00 54.79 55.23 1d5v n ASP 81 Cb 0.60 -1.51 0.00 0.00 -0.64 0.00 0.00 41.12 39.56 1d5v n ASP 81 CO 0.00 0.00 0.00 -0.81 0.13 0.00 0.00 177.20 176.52 1d5v n PRO 82 N -1.17 1.69 -0.42 -0.24 -0.04 -1.26 -4.62 135.00 128.95 1d5v n PRO 82 Ca 0.13 0.00 -0.07 0.00 -0.04 0.00 0.00 63.50 63.51 1d5v n PRO 82 Cb 0.46 0.00 -0.05 0.00 -0.04 0.00 0.00 33.50 33.87 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 0.00 2.37 -0.22 3.54 8.00 -1.26 -4.42 116.55 124.56 1d5v n ASP 83 Ca 0.00 -1.97 0.00 0.00 0.71 0.00 0.00 54.79 53.54 1d5v n ASP 83 Cb 0.00 -0.64 0.23 0.00 -0.02 0.00 0.00 41.12 40.69 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 5.37 0.87 -0.46 -2.24 0.87 -1.98 0.26 113.55 116.24 1d5v h SER 84 Ca 0.14 -0.03 0.04 0.00 -1.23 0.00 0.00 61.79 60.71 1d5v h SER 84 Cb 0.46 -0.22 -0.04 0.00 -0.44 0.00 0.00 62.40 62.16 1d5v h SER 84 CO 0.63 0.65 0.22 1.88 -0.53 0.00 0.00 176.83 179.68 1d5v h TYR 85 N 1.02 0.39 -2.22 2.24 -1.99 -1.96 -3.36 116.97 111.10 1d5v h TYR 85 Ca 0.27 0.02 -0.51 0.00 2.00 0.00 0.00 58.73 60.52 1d5v h TYR 85 Cb -0.09 -0.11 -0.35 0.00 2.00 0.00 0.00 36.73 38.18 1d5v h TYR 85 CO 0.00 0.18 -0.85 1.21 -0.00 0.00 0.00 178.16 178.71 1d5v s ASN 86 N -5.45 1.50 -0.34 3.88 2.47 -0.79 -5.10 114.94 111.12 1d5v s ASN 86 Ca -0.13 -2.43 -0.20 0.00 0.42 0.00 0.00 52.86 50.52 1d5v s ASN 86 Cb 0.13 -0.02 -0.00 0.00 -1.45 0.00 0.00 41.25 39.91 1d5v s ASN 86 CO 0.73 -0.21 0.62 0.00 -3.72 0.00 0.00 177.10 174.51 1d5v s MET 87 N 0.66 3.74 0.24 0.43 0.00 0.86 -4.83 119.30 120.40 1d5v s MET 87 Ca 0.26 0.10 -0.07 0.00 0.00 0.00 0.00 55.69 55.98 1d5v s MET 87 Cb -0.07 -3.78 0.23 0.00 0.00 0.00 0.00 34.83 31.20 1d5v s MET 87 CO -0.10 -0.67 1.89 0.74 0.00 0.00 0.00 175.02 176.88 1d5v h PHE 88 N 8.38 1.25 -4.30 3.16 0.04 -1.99 -3.43 116.94 120.04 1d5v h PHE 88 Ca -0.27 -0.00 -0.52 0.00 2.80 0.00 0.00 57.97 59.98 1d5v h PHE 88 Cb 1.11 -0.41 0.14 0.00 2.20 0.00 0.00 35.95 39.00 1d5v h PHE 88 CO 0.75 0.83 0.30 -1.21 -0.60 0.00 0.00 178.31 178.38 1d5v s GLU 89 N -5.96 2.00 0.64 1.51 2.02 -1.26 -4.95 118.70 112.70 1d5v s GLU 89 Ca -0.13 1.26 -0.18 0.00 0.02 0.00 0.00 54.97 55.94 1d5v s GLU 89 Cb 0.17 -1.86 -0.01 0.00 0.10 0.00 0.00 34.13 32.53 1d5v s GLU 89 CO 0.82 -1.85 1.29 -0.80 0.02 0.00 0.00 175.26 174.75 1d5v s ASN 90 N -3.22 4.67 0.00 -0.19 0.02 -1.26 -4.86 114.94 110.10 1d5v s ASN 90 Ca 0.62 2.62 0.00 0.00 -1.02 0.00 0.00 52.86 55.08 1d5v s ASN 90 Cb -0.18 -2.62 0.00 0.00 0.02 0.00 0.00 41.25 38.47 1d5v s ASN 90 CO 0.56 -1.96 0.00 0.61 0.02 0.00 0.00 177.10 176.33 1d5v n GLY 91 N 0.86 -0.34 0.37 0.66 0.00 -1.26 -4.97 105.19 100.51 1d5v n GLY 91 Ca 0.16 0.63 -0.02 0.00 0.00 0.00 0.00 46.02 46.79 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 0.00 1.11 -3.35 1.61 4.64 -1.94 -3.39 113.55 112.23 1d5v h SER 92 Ca 0.00 -0.03 -0.60 0.00 -0.47 0.00 0.00 61.79 60.69 1d5v h SER 92 Cb 0.00 -0.28 -0.10 0.00 -0.31 0.00 0.00 62.40 61.72 1d5v h SER 92 CO 0.00 0.81 0.39 0.12 -0.87 0.00 0.00 176.83 177.28 1d5v s PHE 93 N -6.05 3.29 -1.41 4.77 2.19 -1.26 -5.24 117.98 114.27 1d5v s PHE 93 Ca -0.13 1.02 0.11 0.00 0.33 0.00 0.00 56.93 58.26 1d5v s PHE 93 Cb 0.18 -3.02 0.09 0.00 -1.31 0.00 0.00 43.02 38.96 1d5v s PHE 93 CO 0.81 -0.40 0.86 1.28 1.83 0.00 0.00 175.22 179.60