#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 3.78 0.17 4.03 1.43 -1.26 -5.06 118.68 121.77 1d5v s LEU 2 Ca 0.00 1.84 0.11 0.00 -1.03 0.00 0.00 54.13 55.05 1d5v s LEU 2 Cb 0.00 -4.55 -0.04 0.00 0.03 0.00 0.00 46.19 41.63 1d5v s LEU 2 CO 0.00 -0.75 -0.25 0.68 0.23 0.00 0.00 176.35 176.26 1d5v s VAL 3 N -2.15 2.32 0.11 -1.59 -7.23 -1.26 -5.04 120.40 105.56 1d5v s VAL 3 Ca 0.65 -1.94 -0.35 0.00 -1.81 0.00 0.00 61.98 58.53 1d5v s VAL 3 Cb -0.14 -2.08 -0.15 0.00 0.56 0.00 0.00 36.38 34.56 1d5v s VAL 3 CO 0.23 -0.05 1.51 2.29 -0.31 0.00 0.00 175.10 178.77 1d5v n LYS 4 N 0.49 1.75 -1.02 4.82 2.85 -1.26 -4.87 118.16 120.92 1d5v n LYS 4 Ca -0.14 0.63 -0.36 0.00 -1.05 0.00 0.00 58.31 57.39 1d5v n LYS 4 Cb 0.55 -2.36 0.05 0.00 -0.65 0.00 0.00 35.03 32.62 1d5v n LYS 4 CO 0.00 0.00 0.00 -2.30 -0.05 0.00 0.00 177.40 175.05 1d5v n PRO 5 N 3.29 -0.03 0.00 -1.58 -0.02 -1.26 -4.84 135.00 130.56 1d5v n PRO 5 Ca 0.18 0.00 0.12 0.00 -2.02 0.00 0.00 63.50 61.78 1d5v n PRO 5 Cb 0.25 -1.18 0.53 0.00 -0.02 0.00 0.00 33.50 33.08 1d5v n PRO 5 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 1d5v n PRO 6 N 1.55 0.06 -2.13 0.52 -0.04 -1.26 -4.84 135.00 128.86 1d5v n PRO 6 Ca 0.01 0.08 -0.39 0.00 -0.04 0.00 0.00 63.50 63.16 1d5v n PRO 6 Cb 0.54 -1.50 -0.01 0.00 -0.04 0.00 0.00 33.50 32.49 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 -2.92 2.89 0.77 0.54 2.02 -1.26 -4.98 117.35 114.41 1d5v s TYR 7 Ca 0.14 1.46 -0.11 0.00 -0.37 0.00 0.00 57.07 58.20 1d5v s TYR 7 Cb 0.16 -3.57 0.06 0.00 -0.40 0.00 0.00 41.96 38.21 1d5v s TYR 7 CO 0.43 -1.83 1.09 0.45 -1.57 0.00 0.00 175.55 174.12 1d5v s SER 8 N -0.90 4.48 0.25 2.29 0.15 -1.26 -4.79 113.70 113.92 1d5v s SER 8 Ca 0.57 1.83 -0.06 0.00 0.70 0.00 0.00 55.95 59.00 1d5v s SER 8 Cb -0.35 -2.52 0.27 0.00 -1.71 0.00 0.00 66.02 61.70 1d5v s SER 8 CO 0.45 -2.05 1.93 1.88 1.20 0.00 0.00 173.24 176.65 1d5v h TYR 9 N -1.14 1.26 -0.59 3.44 0.05 -1.96 -1.39 116.97 116.64 1d5v h TYR 9 Ca -0.43 0.03 -0.10 0.00 0.05 0.00 0.00 58.73 58.27 1d5v h TYR 9 Cb 1.23 -0.43 -0.02 0.00 1.01 0.00 0.00 36.73 38.52 1d5v h TYR 9 CO 0.58 0.79 -0.04 0.82 -1.05 0.00 0.00 178.16 179.26 1d5v h ILE 10 N 1.36 1.27 -0.60 -2.88 2.04 -1.93 -2.80 117.51 113.96 1d5v h ILE 10 Ca 0.37 -1.20 0.00 0.00 1.00 0.00 0.00 64.86 65.04 1d5v h ILE 10 Cb -0.15 0.85 -0.03 0.00 -0.74 0.00 0.00 36.82 36.75 1d5v h ILE 10 CO -0.08 0.43 0.39 0.00 0.00 0.00 0.00 178.15 178.89 1d5v h ALA 11 N 0.97 0.76 -1.00 1.87 0.00 -1.64 0.12 119.26 120.34 1d5v h ALA 11 Ca 0.16 -0.05 0.01 0.00 0.00 0.00 0.00 54.91 55.04 1d5v h ALA 11 Cb 0.60 -0.24 -0.05 0.00 0.00 0.00 0.00 17.79 18.10 1d5v h ALA 11 CO 0.04 0.20 0.66 -0.07 0.00 0.00 0.00 179.25 180.08 1d5v h LEU 12 N 0.81 1.15 -0.42 0.00 3.38 -1.15 -0.03 115.31 119.06 1d5v h LEU 12 Ca 0.22 -0.03 -0.10 0.00 0.09 0.00 0.00 57.88 58.06 1d5v h LEU 12 Cb -0.08 -0.29 -0.01 0.00 0.09 0.00 0.00 40.66 40.36 1d5v h LEU 12 CO -0.05 0.84 -0.13 0.40 0.09 0.00 0.00 178.44 179.59 1d5v h ILE 13 N 1.36 1.28 -0.97 1.22 2.04 -1.10 -2.16 117.51 119.18 1d5v h ILE 13 Ca 0.37 -1.24 0.00 0.00 1.00 0.00 0.00 64.86 64.99 1d5v h ILE 13 Cb -0.15 1.20 -0.05 0.00 -0.74 0.00 0.00 36.82 37.08 1d5v h ILE 13 CO -0.08 0.42 0.61 0.74 0.00 0.00 0.00 178.15 179.84 1d5v h THR 14 N 0.65 1.26 -0.60 -0.27 2.02 0.04 -1.81 112.91 114.20 1d5v h THR 14 Ca 0.10 -0.52 -0.10 0.00 0.77 0.00 0.00 66.41 66.66 1d5v h THR 14 Cb 0.67 -0.14 -0.02 0.00 -1.74 0.00 0.00 68.15 66.92 1d5v h THR 14 CO 0.05 0.26 -0.03 0.24 0.37 0.00 0.00 175.52 176.41 1d5v h MET 15 N 1.33 1.07 -0.22 6.66 2.86 -0.85 -2.47 114.93 123.31 1d5v h MET 15 Ca 0.35 -0.35 -0.00 0.00 -2.06 0.00 0.00 59.70 57.63 1d5v h MET 15 Cb -0.10 -0.09 -0.01 0.00 0.06 0.00 0.00 31.60 31.46 1d5v h MET 15 CO -0.07 1.06 0.13 0.00 1.06 0.00 0.00 176.91 179.09 1d5v h ALA 16 N 0.98 0.28 -0.01 6.32 0.00 -0.73 0.60 119.26 126.69 1d5v h ALA 16 Ca 0.17 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.03 1d5v h ALA 16 Cb 0.59 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.29 1d5v h ALA 16 CO 0.04 -0.20 0.01 0.82 0.00 0.00 0.00 179.25 179.91 1d5v h ILE 17 N 0.26 1.01 -0.62 0.00 2.04 -1.27 0.95 117.51 119.88 1d5v h ILE 17 Ca 0.08 -0.01 -0.08 0.00 1.00 0.00 0.00 64.86 65.84 1d5v h ILE 17 Cb 0.03 0.99 -0.02 0.00 -0.74 0.00 0.00 36.82 37.08 1d5v h ILE 17 CO -0.01 0.01 0.07 1.56 0.00 0.00 0.00 178.15 179.77 1d5v h GLN 18 N 0.02 1.06 0.00 2.37 4.20 -1.26 -2.56 115.11 118.93 1d5v h GLN 18 Ca 0.01 -0.30 -0.01 0.00 0.06 0.00 0.00 58.65 58.41 1d5v h GLN 18 Cb 0.00 -0.11 -0.00 0.00 0.30 0.00 0.00 27.48 27.67 1d5v h GLN 18 CO -0.00 1.00 -0.03 -0.91 -0.67 0.00 0.00 178.83 178.22 1d5v h ASN 19 N 0.96 0.00 -3.09 1.46 -0.26 0.50 -3.42 115.58 111.73 1d5v h ASN 19 Ca 0.18 0.00 -0.58 0.00 -0.56 0.00 0.00 56.30 55.34 1d5v h ASN 19 Cb 0.48 0.00 -0.06 0.00 -1.06 0.00 0.00 38.32 37.68 1d5v h ASN 19 CO 0.02 0.03 0.80 0.00 -1.06 0.00 0.00 177.43 177.22 1d5v s ALA 20 N -3.66 3.68 0.56 -0.83 0.00 0.30 -4.88 121.76 116.94 1d5v s ALA 20 Ca 0.01 0.17 0.44 0.00 0.00 0.00 0.00 51.96 52.58 1d5v s ALA 20 Cb 0.09 -3.55 1.62 0.00 0.00 0.00 0.00 23.12 21.28 1d5v s ALA 20 CO 0.56 -1.07 1.64 -1.35 0.00 0.00 0.00 175.76 175.54 1d5v h PRO 21 N 7.48 0.00 -5.27 0.00 0.11 -1.84 -3.33 132.00 129.15 1d5v h PRO 21 Ca -0.19 0.00 -0.66 0.00 0.11 0.00 0.00 66.00 65.26 1d5v h PRO 21 Cb 1.06 0.00 -0.28 0.00 0.11 0.00 0.00 31.00 31.89 1d5v h PRO 21 CO 0.98 0.00 -0.78 -2.00 -0.21 0.00 0.00 178.00 175.99 1d5v s GLU 22 N -4.85 3.31 0.38 1.05 2.12 -1.26 -5.00 118.70 114.45 1d5v s GLU 22 Ca -0.05 -0.72 0.18 0.00 0.36 0.00 0.00 54.97 54.74 1d5v s GLU 22 Cb 0.24 -2.62 0.77 0.00 0.26 0.00 0.00 34.13 32.78 1d5v s GLU 22 CO 0.83 0.13 1.79 0.87 -0.54 0.00 0.00 175.26 178.35 1d5v h LYS 23 N 6.95 0.00 -4.81 4.30 1.57 -1.78 -3.34 116.57 119.45 1d5v h LYS 23 Ca -0.28 0.00 -0.67 0.00 -1.87 0.00 0.00 60.65 57.83 1d5v h LYS 23 Cb 1.21 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 33.47 1d5v h LYS 23 CO 0.56 0.36 2.60 1.63 -0.57 0.00 0.00 179.45 184.03 1d5v n LYS 24 N -3.72 2.78 -3.28 3.15 5.02 -1.24 -4.27 118.16 116.61 1d5v n LYS 24 Ca -0.01 -2.77 -0.34 0.00 -2.02 0.00 0.00 58.31 53.17 1d5v n LYS 24 Cb 0.45 -3.36 -0.06 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 4.22 4.79 0.63 -0.18 2.07 -1.21 -4.71 121.20 126.80 1d5v s ILE 25 Ca 0.52 0.84 -0.11 0.00 -1.41 0.00 0.00 60.65 60.48 1d5v s ILE 25 Cb 0.09 -3.69 -0.03 0.00 0.13 0.00 0.00 42.46 38.96 1d5v s ILE 25 CO 0.00 0.05 1.03 0.42 -1.91 0.00 0.00 174.94 174.54 1d5v s THR 26 N -1.70 4.57 0.09 4.00 -4.23 -1.26 -3.15 115.64 113.96 1d5v s THR 26 Ca 0.45 0.86 -0.23 0.00 -1.18 0.00 0.00 61.69 61.59 1d5v s THR 26 Cb -0.13 -3.77 -0.15 0.00 1.34 0.00 0.00 72.50 69.79 1d5v s THR 26 CO 0.20 -1.06 1.72 0.25 -0.54 0.00 0.00 174.62 175.19 1d5v h LEU 27 N -0.30 -0.00 -1.00 4.79 5.85 -1.97 -2.20 115.31 120.47 1d5v h LEU 27 Ca -0.44 -0.02 0.01 0.00 0.84 0.00 0.00 57.88 58.27 1d5v h LEU 27 Cb 1.19 0.00 -0.05 0.00 0.37 0.00 0.00 40.66 42.17 1d5v h LEU 27 CO 0.61 0.02 0.66 0.78 -0.34 0.00 0.00 178.44 180.17 1d5v h ASN 28 N -0.02 1.16 -0.87 1.25 2.35 -1.96 -2.25 115.58 115.23 1d5v h ASN 28 Ca -0.00 -0.03 0.01 0.00 -0.55 0.00 0.00 56.30 55.73 1d5v h ASN 28 Cb 0.02 -0.29 -0.04 0.00 0.05 0.00 0.00 38.32 38.06 1d5v h ASN 28 CO 0.00 0.84 0.58 1.23 -1.65 0.00 0.00 177.43 178.43 1d5v h GLY 29 N 1.36 1.23 1.01 2.83 0.00 -1.84 -2.45 103.07 105.21 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 0.44 0.42 -2.22 0.00 0.00 0.00 176.54 175.10 1d5v h ILE 30 N 1.17 1.16 -0.47 2.60 2.04 -0.80 -2.23 117.51 121.00 1d5v h ILE 30 Ca 0.32 -0.30 0.00 0.00 1.00 0.00 0.00 64.86 65.89 1d5v h ILE 30 Cb -0.12 0.23 -0.02 0.00 -0.74 0.00 0.00 36.82 36.16 1d5v h ILE 30 CO -0.07 0.16 0.31 1.88 0.00 0.00 0.00 178.15 180.43 1d5v h TYR 31 N 0.86 0.59 -1.00 1.37 0.05 -1.39 -2.51 116.97 114.94 1d5v h TYR 31 Ca 0.23 0.01 0.01 0.00 0.05 0.00 0.00 58.73 59.04 1d5v h TYR 31 Cb -0.10 -0.20 -0.05 0.00 1.01 0.00 0.00 36.73 37.39 1d5v h TYR 31 CO -0.03 0.37 0.66 1.96 -1.05 0.00 0.00 178.16 180.07 1d5v h GLN 32 N 0.63 1.31 -0.35 4.88 1.08 -1.28 -1.43 115.11 119.95 1d5v h GLN 32 Ca 0.17 -0.08 0.00 0.00 -1.45 0.00 0.00 58.65 57.30 1d5v h GLN 32 Cb -0.07 -0.30 -0.02 0.00 -0.05 0.00 0.00 27.48 27.04 1d5v h GLN 32 CO -0.04 0.87 0.23 0.35 -0.95 0.00 0.00 178.83 179.29 1d5v h PHE 33 N 1.35 0.44 -0.00 2.96 3.04 -0.98 -1.17 116.94 122.57 1d5v h PHE 33 Ca 0.37 0.01 -0.00 0.00 3.98 0.00 0.00 57.97 62.33 1d5v h PHE 33 Cb -0.16 -0.15 -0.00 0.00 2.56 0.00 0.00 35.95 38.21 1d5v h PHE 33 CO -0.00 0.27 0.00 0.82 -2.02 0.00 0.00 178.31 177.38 1d5v h ILE 34 N 0.47 1.23 -0.94 1.41 2.04 -1.13 -2.41 117.51 118.18 1d5v h ILE 34 Ca 0.13 -0.68 -0.01 0.00 1.00 0.00 0.00 64.86 65.30 1d5v h ILE 34 Cb -0.05 1.69 -0.05 0.00 -0.74 0.00 0.00 36.82 37.67 1d5v h ILE 34 CO -0.03 0.18 0.55 0.24 0.00 0.00 0.00 178.15 179.09 1d5v h MET 35 N -0.28 1.29 -0.58 2.37 2.86 -1.18 -1.06 114.93 118.34 1d5v h MET 35 Ca 0.00 -0.13 -0.11 0.00 -2.06 0.00 0.00 59.70 57.41 1d5v h MET 35 Cb 0.29 -0.26 -0.02 0.00 0.06 0.00 0.00 31.60 31.67 1d5v h MET 35 CO 0.00 0.91 -0.05 -0.44 1.06 0.00 0.00 176.91 178.39 1d5v h ASP 36 N 1.30 1.05 0.05 1.22 3.32 -1.20 -3.36 116.42 118.80 1d5v h ASP 36 Ca 0.34 -0.32 -0.00 0.00 0.02 0.00 0.00 57.03 57.06 1d5v h ASP 36 Cb -0.03 -0.28 0.00 0.00 0.22 0.00 0.00 39.33 39.24 1d5v h ASP 36 CO -0.06 1.13 -0.02 -0.09 -1.72 0.00 0.00 179.24 178.48 1d5v h ARG 37 N 0.96 -0.06 -6.09 3.56 2.43 -1.10 -3.44 114.38 110.64 1d5v h ARG 37 Ca 0.16 0.00 -0.56 0.00 -0.81 0.00 0.00 59.98 58.78 1d5v h ARG 37 Cb 0.62 0.01 -0.05 0.00 -0.42 0.00 0.00 29.97 30.13 1d5v h ARG 37 CO 0.04 -0.04 0.11 -0.06 -1.51 0.00 0.00 179.97 178.51 1d5v s PHE 38 N -1.58 3.60 -0.81 2.20 0.08 -0.43 -4.95 117.98 116.08 1d5v s PHE 38 Ca -0.01 1.30 0.27 0.00 0.12 0.00 0.00 56.93 58.61 1d5v s PHE 38 Cb 0.00 -2.83 0.94 0.00 -0.57 0.00 0.00 43.02 40.57 1d5v s PHE 38 CO 0.03 0.10 1.82 -0.35 -0.10 0.00 0.00 175.22 176.72 1d5v n PRO 39 N 3.69 0.18 -0.20 0.24 -0.04 -1.26 -3.87 135.00 133.74 1d5v n PRO 39 Ca -0.01 0.15 -0.06 0.00 -0.04 0.00 0.00 63.50 63.54 1d5v n PRO 39 Cb 0.51 -1.71 0.03 0.00 -0.04 0.00 0.00 33.50 32.29 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 0.00 0.71 0.00 0.54 3.57 -1.91 -2.45 116.94 117.40 1d5v h PHE 40 Ca 0.00 0.02 -0.10 0.00 3.53 0.00 0.00 57.97 61.42 1d5v h PHE 40 Cb 0.65 -0.24 -0.01 0.00 2.79 0.00 0.00 35.95 39.14 1d5v h PHE 40 CO 0.00 0.45 -0.47 1.88 -2.23 0.00 0.00 178.31 177.94 1d5v h TYR 41 N 0.77 0.00 -1.01 0.41 0.05 -1.83 -2.55 116.97 112.81 1d5v h TYR 41 Ca 0.21 0.00 0.01 0.00 0.05 0.00 0.00 58.73 59.00 1d5v h TYR 41 Cb -0.09 0.00 -0.05 0.00 1.01 0.00 0.00 36.73 37.61 1d5v h TYR 41 CO -0.04 0.47 0.67 0.00 -1.05 0.00 0.00 178.16 178.21 1d5v h ARG 42 N 0.00 1.33 -0.02 4.88 3.08 -1.61 -1.77 114.38 120.27 1d5v h ARG 42 Ca -0.00 -0.08 0.00 0.00 0.07 0.00 0.00 59.98 59.96 1d5v h ARG 42 Cb 0.87 -0.30 0.00 0.00 0.08 0.00 0.00 29.97 30.62 1d5v h ARG 42 CO 0.06 0.88 0.00 -0.85 -1.07 0.00 0.00 179.97 178.99 1d5v n GLU 43 N -4.38 1.88 -4.83 0.04 0.28 -1.16 -4.83 120.64 107.65 1d5v n GLU 43 Ca 0.12 -1.28 -0.29 0.00 -0.16 0.00 0.00 57.16 55.56 1d5v n GLU 43 Cb 0.01 -1.47 -0.17 0.00 1.43 0.00 0.00 31.44 31.24 1d5v n GLU 43 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 177.13 178.18 1d5v s ASN 44 N -2.00 2.47 -0.06 -1.84 2.47 -0.66 -4.99 114.94 110.33 1d5v s ASN 44 Ca 0.35 -0.44 0.08 0.00 0.42 0.00 0.00 52.86 53.27 1d5v s ASN 44 Cb 0.21 -1.13 0.12 0.00 -1.45 0.00 0.00 41.25 39.00 1d5v s ASN 44 CO 0.32 0.08 1.02 0.29 -3.72 0.00 0.00 177.10 175.09 1d5v n LYS 45 N 3.77 0.89 0.00 0.43 4.76 -1.26 -4.65 118.16 122.10 1d5v n LYS 45 Ca -0.21 -1.69 0.00 0.00 -2.87 0.00 0.00 58.31 53.55 1d5v n LYS 45 Cb 0.52 -0.99 0.00 0.00 -1.84 0.00 0.00 35.03 32.72 1d5v n LYS 45 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1d5v n GLN 46 N -0.68 0.96 0.00 1.97 10.64 -1.26 -4.63 117.38 124.39 1d5v n GLN 46 Ca 0.07 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.24 1d5v n GLN 46 Cb 0.60 0.00 0.00 0.00 -0.86 0.00 0.00 30.24 29.98 1d5v n GLN 46 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 1d5v n GLY 47 N 2.61 -0.24 0.33 2.61 0.00 -1.26 -1.35 105.19 107.88 1d5v n GLY 47 Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.04 1d5v n GLY 47 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 173.32 173.43 1d5v h TRP 48 N 0.00 0.76 -0.54 1.61 5.08 -1.95 0.27 115.95 121.18 1d5v h TRP 48 Ca 0.00 0.02 -0.01 0.00 1.08 0.00 0.00 58.89 59.98 1d5v h TRP 48 Cb 0.43 -0.26 -0.03 0.00 -3.00 0.00 0.00 29.16 26.31 1d5v h TRP 48 CO 0.00 0.48 0.31 1.96 -1.28 0.00 0.00 178.44 179.90 1d5v h GLN 49 N 0.82 0.75 0.00 0.12 4.20 -1.48 -2.98 115.11 116.55 1d5v h GLN 49 Ca 0.22 -0.08 -0.14 0.00 0.06 0.00 0.00 58.65 58.71 1d5v h GLN 49 Cb -0.09 -0.15 -0.02 0.00 0.30 0.00 0.00 27.48 27.52 1d5v h GLN 49 CO -0.05 0.57 -0.68 -0.91 -0.67 0.00 0.00 178.83 177.09 1d5v h ASN 50 N 0.73 0.00 0.77 1.46 -0.26 -1.56 -3.28 115.58 113.44 1d5v h ASN 50 Ca 0.19 0.00 -0.04 0.00 -0.56 0.00 0.00 56.30 55.90 1d5v h ASN 50 Cb 0.03 0.00 -0.01 0.00 -1.06 0.00 0.00 38.32 37.28 1d5v h ASN 50 CO -0.03 0.66 -0.17 0.77 -1.06 0.00 0.00 177.43 177.60 1d5v h SER 51 N 0.00 0.00 0.43 5.81 4.64 -0.82 -2.41 113.55 121.19 1d5v h SER 51 Ca -0.01 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.29 1d5v h SER 51 Cb 1.51 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.61 1d5v h SER 51 CO 0.08 0.17 -0.20 0.40 -0.87 0.00 0.00 176.83 176.41 1d5v h ILE 52 N 0.00 0.00 -0.03 0.95 1.08 -1.59 -3.09 117.51 114.83 1d5v h ILE 52 Ca -0.00 -0.42 -0.11 0.00 -0.39 0.00 0.00 64.86 63.94 1d5v h ILE 52 Cb 0.60 0.00 -0.01 0.00 -3.07 0.00 0.00 36.82 34.33 1d5v h ILE 52 CO 0.02 0.00 -0.49 0.08 -0.69 0.00 0.00 178.15 177.07 1d5v h ARG 53 N -0.99 0.09 -0.68 2.37 0.11 -1.73 -2.98 114.38 110.58 1d5v h ARG 53 Ca -0.06 -0.05 0.00 0.00 0.10 0.00 0.00 59.98 59.98 1d5v h ARG 53 Cb 0.44 0.00 -0.03 0.00 1.11 0.00 0.00 29.97 31.49 1d5v h ARG 53 CO 0.10 0.56 0.44 1.25 0.10 0.00 0.00 179.97 182.42 1d5v h HIS 54 N 0.07 0.86 0.00 4.08 2.76 -1.54 -1.44 115.15 119.95 1d5v h HIS 54 Ca 0.00 0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.19 1d5v h HIS 54 Cb 0.90 -0.29 0.00 0.00 1.55 0.00 0.00 27.41 29.57 1d5v h HIS 54 CO 0.01 0.55 0.00 -0.91 -1.30 0.00 0.00 177.93 176.28 1d5v h ASN 55 N 0.93 0.00 -0.50 3.26 2.35 -1.43 -3.19 115.58 117.00 1d5v h ASN 55 Ca 0.25 0.00 0.01 0.00 -0.55 0.00 0.00 56.30 56.00 1d5v h ASN 55 Cb -0.09 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.26 1d5v h ASN 55 CO -0.05 0.00 0.33 -0.07 -1.65 0.00 0.00 177.43 175.99 1d5v h LEU 56 N 0.00 0.56 -0.40 1.61 3.38 -1.32 -1.68 115.31 117.47 1d5v h LEU 56 Ca 0.00 -0.01 -0.16 0.00 0.09 0.00 0.00 57.88 57.79 1d5v h LEU 56 Cb 0.48 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.08 1d5v h LEU 56 CO 0.00 0.41 -0.41 0.77 0.09 0.00 0.00 178.44 179.30 1d5v h SER 57 N 0.67 0.97 -1.00 -0.43 4.64 -1.69 -3.10 113.55 113.62 1d5v h SER 57 Ca 0.18 -0.45 0.01 0.00 -0.47 0.00 0.00 61.79 61.06 1d5v h SER 57 Cb -0.07 -0.27 -0.05 0.00 -0.31 0.00 0.00 62.40 61.70 1d5v h SER 57 CO -0.04 1.25 0.65 -0.07 -0.87 0.00 0.00 176.83 177.74 1d5v h LEU 58 N 0.73 1.15 -9.26 5.97 3.38 -1.57 -3.40 115.31 112.31 1d5v h LEU 58 Ca 0.05 -0.04 -0.55 0.00 0.09 0.00 0.00 57.88 57.44 1d5v h LEU 58 Cb 1.00 -0.29 0.00 0.00 0.09 0.00 0.00 40.66 41.46 1d5v h LEU 58 CO 0.10 0.84 1.16 0.20 0.09 0.00 0.00 178.44 180.83 1d5v s ASN 59 N -6.14 6.50 0.02 -0.43 0.01 -0.66 -4.87 114.94 109.38 1d5v s ASN 59 Ca -0.13 2.31 -0.09 0.00 -0.71 0.00 0.00 52.86 54.24 1d5v s ASN 59 Cb 0.18 -2.53 -0.31 0.00 0.41 0.00 0.00 41.25 39.00 1d5v s ASN 59 CO 0.82 -1.06 0.94 -0.33 -1.51 0.00 0.00 177.10 175.97 1d5v h GLU 60 N 10.31 0.38 0.00 -0.60 5.08 -1.86 -3.23 114.58 124.66 1d5v h GLU 60 Ca -0.42 -0.65 0.00 0.00 -1.00 0.00 0.00 59.36 57.28 1d5v h GLU 60 Cb 1.20 0.24 0.00 0.00 0.50 0.00 0.00 28.75 30.69 1d5v h GLU 60 CO 0.95 1.29 0.00 0.00 -1.00 0.00 0.00 179.01 180.26 1d5v s PHE 62 N -3.14 3.67 -0.19 0.00 0.40 -1.22 -4.29 117.98 113.21 1d5v s PHE 62 Ca 0.03 1.69 -0.13 0.00 -0.60 0.00 0.00 56.93 57.92 1d5v s PHE 62 Cb 0.06 -3.13 -0.05 0.00 0.51 0.00 0.00 43.02 40.41 1d5v s PHE 62 CO 0.19 -0.07 0.26 0.08 0.70 0.00 0.00 175.22 176.38 1d5v s VAL 63 N 0.76 5.31 -0.29 -0.44 1.01 -0.70 -5.03 120.40 121.02 1d5v s VAL 63 Ca 0.51 0.45 -0.09 0.00 0.00 0.00 0.00 61.98 62.85 1d5v s VAL 63 Cb -0.22 -3.60 -0.02 0.00 0.00 0.00 0.00 36.38 32.53 1d5v s VAL 63 CO 0.29 0.36 0.14 -0.75 0.00 0.00 0.00 175.10 175.13 1d5v s LYS 64 N 0.76 3.58 -0.23 2.72 2.20 -1.26 -2.81 119.74 124.70 1d5v s LYS 64 Ca 0.14 -0.55 -0.03 0.00 -0.36 0.00 0.00 55.97 55.17 1d5v s LYS 64 Cb -0.13 -3.52 0.01 0.00 -1.51 0.00 0.00 37.83 32.67 1d5v s LYS 64 CO 0.04 -0.29 -0.05 0.14 -0.36 0.00 0.00 175.35 174.83 1d5v s VAL 65 N 1.65 3.17 0.58 4.02 -7.23 -1.14 -5.04 120.40 116.41 1d5v s VAL 65 Ca 0.06 -0.70 -0.16 0.00 -1.81 0.00 0.00 61.98 59.37 1d5v s VAL 65 Cb -0.16 -2.50 -0.04 0.00 0.56 0.00 0.00 36.38 34.24 1d5v s VAL 65 CO 0.07 0.34 1.05 -2.16 -0.31 0.00 0.00 175.10 174.09 1d5v s PRO 66 N 1.42 3.40 0.65 4.82 0.04 -1.26 -1.11 135.00 142.96 1d5v s PRO 66 Ca 0.04 1.20 -0.13 0.00 0.04 0.00 0.00 61.00 62.14 1d5v s PRO 66 Cb -0.15 -2.04 -0.01 0.00 0.04 0.00 0.00 34.50 32.33 1d5v s PRO 66 CO -0.04 -0.74 1.06 0.50 0.04 0.00 0.00 177.00 177.82 1d5v s ARG 67 N -4.02 3.08 0.38 4.56 3.52 -1.26 -4.75 118.95 120.47 1d5v s ARG 67 Ca 0.63 1.11 -0.28 0.00 -0.13 0.00 0.00 55.73 57.07 1d5v s ARG 67 Cb -0.16 -2.00 -0.11 0.00 -1.56 0.00 0.00 34.95 31.12 1d5v s ARG 67 CO 0.35 -0.99 1.50 -0.51 -0.81 0.00 0.00 175.30 174.84 1d5v s ASP 68 N -3.20 6.31 0.55 -2.12 1.01 -1.26 -4.86 116.67 113.10 1d5v s ASP 68 Ca 0.61 3.07 0.34 0.00 0.71 0.00 0.00 52.55 57.28 1d5v s ASP 68 Cb -0.15 -2.67 1.38 0.00 1.01 0.00 0.00 42.92 42.49 1d5v s ASP 68 CO 0.45 -0.90 1.99 0.44 0.21 0.00 0.00 175.17 177.36 1d5v h ASP 69 N 2.96 0.00 -0.95 0.27 3.32 -2.01 -2.92 116.42 117.10 1d5v h ASP 69 Ca -0.51 0.00 0.01 0.00 0.02 0.00 0.00 57.03 56.55 1d5v h ASP 69 Cb 1.24 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 40.74 1d5v h ASP 69 CO 0.64 0.00 0.63 0.11 -1.72 0.00 0.00 179.24 178.90 1d5v h LYS 70 N 0.00 1.26 -2.68 3.56 1.79 -2.04 -3.34 116.57 115.12 1d5v h LYS 70 Ca 0.00 -0.08 -0.60 0.00 -2.18 0.00 0.00 60.65 57.79 1d5v h LYS 70 Cb 0.50 -0.28 -0.40 0.00 -1.58 0.00 0.00 32.23 30.47 1d5v h LYS 70 CO 0.00 0.83 -0.82 0.21 -1.08 0.00 0.00 179.45 178.60 1d5v s LYS 71 N -6.11 1.38 0.91 3.15 2.20 -1.10 -5.12 119.74 115.05 1d5v s LYS 71 Ca -0.13 -2.39 -0.14 0.00 -0.36 0.00 0.00 55.97 52.95 1d5v s LYS 71 Cb 0.17 -2.12 0.17 0.00 -1.51 0.00 0.00 37.83 34.54 1d5v s LYS 71 CO 0.81 -1.31 1.26 -1.25 -0.36 0.00 0.00 175.35 174.50 1d5v s PRO 72 N -0.25 0.97 0.00 4.03 0.04 -1.24 -4.65 135.00 133.90 1d5v s PRO 72 Ca 0.27 -0.41 0.00 0.00 0.04 0.00 0.00 61.00 60.90 1d5v s PRO 72 Cb -0.05 -1.92 0.00 0.00 0.04 0.00 0.00 34.50 32.57 1d5v s PRO 72 CO -0.14 -2.17 0.00 0.41 0.04 0.00 0.00 177.00 175.14 1d5v n GLY 73 N -3.58 1.08 3.81 0.56 0.00 -1.26 -5.11 105.19 100.68 1d5v n GLY 73 Ca 0.14 -0.10 -0.34 0.00 0.00 0.00 0.00 46.02 45.72 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 4.02 0.00 1.61 1.02 -1.26 -5.01 119.74 120.12 1d5v s LYS 74 Ca 0.00 1.25 0.00 0.00 0.02 0.00 0.00 55.97 57.24 1d5v s LYS 74 Cb 0.00 -2.14 0.00 0.00 -0.52 0.00 0.00 37.83 35.17 1d5v s LYS 74 CO 0.00 -0.23 0.00 0.41 -0.92 0.00 0.00 175.35 174.61 1d5v n GLY 75 N -0.42 -0.68 3.30 -3.33 0.00 -1.26 -4.82 105.19 97.97 1d5v n GLY 75 Ca 0.08 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.00 1d5v n GLY 75 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1d5v s SER 76 N -2.71 -0.17 0.61 1.61 0.15 -1.26 -4.32 113.70 107.61 1d5v s SER 76 Ca 0.00 -0.38 -0.13 0.00 0.70 0.00 0.00 55.95 56.14 1d5v s SER 76 Cb 0.00 0.45 -0.04 0.00 -1.71 0.00 0.00 66.02 64.72 1d5v s SER 76 CO 0.00 -0.83 1.03 -0.31 1.20 0.00 0.00 173.24 174.33 1d5v s TYR 77 N -3.82 3.34 -0.06 3.44 2.02 -0.27 -4.35 117.35 117.67 1d5v s TYR 77 Ca 0.03 1.41 0.02 0.00 -0.37 0.00 0.00 57.07 58.16 1d5v s TYR 77 Cb 0.02 -2.83 0.01 0.00 -0.40 0.00 0.00 41.96 38.77 1d5v s TYR 77 CO -0.12 -0.82 -0.10 -1.58 -1.57 0.00 0.00 175.55 171.36 1d5v s TRP 78 N -2.88 1.26 0.10 2.71 0.52 -1.19 -2.89 118.94 116.57 1d5v s TRP 78 Ca 0.58 -0.43 -0.12 0.00 0.02 0.00 0.00 56.10 56.15 1d5v s TRP 78 Cb -0.12 -0.95 0.01 0.00 -1.15 0.00 0.00 33.47 31.27 1d5v s TRP 78 CO 0.46 -0.24 0.28 -0.08 0.02 0.00 0.00 176.95 177.39 1d5v s THR 79 N 0.65 0.11 0.00 2.01 -1.32 -1.13 -3.34 115.64 112.62 1d5v s THR 79 Ca -0.13 -0.90 0.00 0.00 -1.21 0.00 0.00 61.69 59.46 1d5v s THR 79 Cb -0.15 -1.23 0.00 0.00 -1.51 0.00 0.00 72.50 69.61 1d5v s THR 79 CO 0.03 -0.49 0.00 0.18 -2.21 0.00 0.00 174.62 172.12 1d5v n LEU 80 N -0.05 0.00 -4.15 9.08 4.77 -1.26 -1.71 117.00 123.67 1d5v n LEU 80 Ca -0.16 0.00 -0.28 0.00 -0.03 0.00 0.00 56.01 55.54 1d5v n LEU 80 Cb 0.63 0.00 0.15 0.00 -2.33 0.00 0.00 43.42 41.87 1d5v n LEU 80 CO 0.20 -0.06 -0.53 -0.90 -1.33 0.00 0.00 177.39 174.78 1d5v n ASP 81 N -0.36 -2.68 -2.25 -1.43 5.75 -1.26 -4.44 116.55 109.88 1d5v n ASP 81 Ca 0.00 -0.22 0.00 0.00 -0.01 0.00 0.00 54.79 54.56 1d5v n ASP 81 Cb 0.00 -0.83 0.00 0.00 -1.03 0.00 0.00 41.12 39.26 1d5v n ASP 81 CO 0.00 0.00 0.00 -2.65 -0.11 0.00 0.00 177.20 174.44 1d5v n PRO 82 N -1.49 2.71 -0.42 0.11 -0.02 -1.26 -4.82 135.00 129.81 1d5v n PRO 82 Ca 0.02 0.00 0.05 0.00 -2.02 0.00 0.00 63.50 61.55 1d5v n PRO 82 Cb 0.54 0.00 0.21 0.00 -0.02 0.00 0.00 33.50 34.24 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 3.25 -4.52 2.55 8.00 -1.26 -4.90 116.55 119.67 1d5v n ASP 83 Ca 0.00 -2.38 -0.38 0.00 0.71 0.00 0.00 54.79 52.74 1d5v n ASP 83 Cb 0.00 -0.52 -0.11 0.00 -0.02 0.00 0.00 41.12 40.47 1d5v n ASP 83 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 1d5v n SER 84 N 0.44 0.94 0.00 -2.24 3.41 -1.26 -4.78 113.62 110.12 1d5v n SER 84 Ca 0.15 -0.11 0.00 0.00 -0.26 0.00 0.00 58.87 58.65 1d5v n SER 84 Cb 0.66 -1.14 0.00 0.00 -0.26 0.00 0.00 64.21 63.47 1d5v n SER 84 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1d5v n TYR 85 N 12.33 0.00 -0.70 7.33 4.19 -1.26 -4.69 117.16 134.36 1d5v n TYR 85 Ca 0.56 0.00 0.02 0.00 3.31 0.00 0.00 57.90 61.79 1d5v n TYR 85 Cb 0.22 -0.50 0.03 0.00 0.49 0.00 0.00 39.34 39.57 1d5v n TYR 85 CO 0.00 0.00 0.00 0.27 0.91 0.00 0.00 176.86 178.04 1d5v n ASN 86 N -1.99 1.31 -4.52 2.98 6.94 -1.26 -4.99 115.26 113.72 1d5v n ASN 86 Ca 0.00 -1.94 -0.43 0.00 -0.02 0.00 0.00 54.58 52.18 1d5v n ASN 86 Cb 0.00 -0.11 -0.05 0.00 -2.36 0.00 0.00 39.78 37.26 1d5v n ASN 86 CO 0.00 0.00 0.00 -0.04 -1.03 0.00 0.00 177.26 176.19 1d5v s MET 87 N -0.98 3.33 0.15 -3.83 -1.94 -1.26 -4.91 119.30 109.86 1d5v s MET 87 Ca 0.06 -0.29 -0.10 0.00 -1.71 0.00 0.00 55.69 53.65 1d5v s MET 87 Cb 0.05 -4.00 -0.01 0.00 2.01 0.00 0.00 34.83 32.87 1d5v s MET 87 CO 0.01 -1.26 1.48 0.74 -0.01 0.00 0.00 175.02 175.97 1d5v h PHE 88 N 9.10 1.07 -4.06 -0.03 0.04 -1.97 -3.45 116.94 117.64 1d5v h PHE 88 Ca -0.26 -0.33 -0.53 0.00 2.80 0.00 0.00 57.97 59.66 1d5v h PHE 88 Cb 1.08 -0.22 0.10 0.00 2.20 0.00 0.00 35.95 39.12 1d5v h PHE 88 CO 0.83 1.14 0.51 -1.21 -0.60 0.00 0.00 178.31 178.98 1d5v s GLU 89 N -4.33 3.24 -0.04 1.51 2.02 -1.26 -4.92 118.70 114.92 1d5v s GLU 89 Ca -0.10 1.90 0.20 0.00 0.02 0.00 0.00 54.97 56.98 1d5v s GLU 89 Cb 0.11 -2.14 0.63 0.00 0.10 0.00 0.00 34.13 32.84 1d5v s GLU 89 CO 0.88 -1.01 1.53 0.09 0.02 0.00 0.00 175.26 176.77 1d5v n ASN 90 N -1.15 3.98 -3.00 -0.19 3.02 -1.26 -4.61 115.26 112.05 1d5v n ASN 90 Ca 0.11 -2.16 -0.15 0.00 -0.03 0.00 0.00 54.58 52.36 1d5v n ASN 90 Cb 0.48 -0.50 -0.02 0.00 -0.61 0.00 0.00 39.78 39.13 1d5v n ASN 90 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1d5v n GLY 91 N 1.40 0.91 0.00 7.41 0.00 -1.26 -4.95 105.19 108.70 1d5v n GLY 91 Ca 0.23 -0.45 0.00 0.00 0.00 0.00 0.00 46.02 45.81 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 2.30 0.00 0.22 1.61 7.64 -1.26 -4.86 113.62 119.27 1d5v n SER 92 Ca 0.19 0.00 0.14 0.00 1.01 0.00 0.00 58.87 60.21 1d5v n SER 92 Cb 0.55 0.00 0.41 0.00 -1.01 0.00 0.00 64.21 64.16 1d5v n SER 92 CO 0.00 0.00 0.00 0.15 -3.01 0.00 0.00 175.04 172.18 1d5v h PHE 93 N 0.00 0.00 0.00 1.43 3.04 -1.92 -3.54 116.94 115.95 1d5v h PHE 93 Ca 0.00 0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.95 1d5v h PHE 93 Cb 0.00 0.00 0.00 0.00 2.56 0.00 0.00 35.95 38.51 1d5v h PHE 93 CO 0.00 0.00 0.00 1.28 -2.02 0.00 0.00 178.31 177.57