#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 4.12 0.04 4.03 1.43 -1.26 -5.10 118.68 121.94 1d5v s LEU 2 Ca 0.00 0.36 0.03 0.00 -1.03 0.00 0.00 54.13 53.49 1d5v s LEU 2 Cb 0.00 -1.99 -0.02 0.00 0.03 0.00 0.00 46.19 44.20 1d5v s LEU 2 CO 0.00 0.40 -0.09 0.68 0.23 0.00 0.00 176.35 177.57 1d5v s VAL 3 N -0.99 0.62 0.07 -1.59 -7.23 -1.26 -5.07 120.40 104.95 1d5v s VAL 3 Ca 0.15 -1.02 -0.31 0.00 -1.81 0.00 0.00 61.98 58.99 1d5v s VAL 3 Cb -0.12 -0.65 -0.07 0.00 0.56 0.00 0.00 36.38 36.10 1d5v s VAL 3 CO 0.04 -0.30 1.38 -0.54 -0.31 0.00 0.00 175.10 175.36 1d5v s LYS 4 N -1.44 4.32 0.37 4.82 1.02 -1.26 -4.93 119.74 122.64 1d5v s LYS 4 Ca -0.07 2.01 -0.14 0.00 0.02 0.00 0.00 55.97 57.78 1d5v s LYS 4 Cb -0.09 -3.38 -0.08 0.00 -0.52 0.00 0.00 37.83 33.76 1d5v s LYS 4 CO 0.01 -0.47 0.78 -1.25 -0.92 0.00 0.00 175.35 173.50 1d5v s PRO 5 N 1.58 3.94 0.00 -1.68 0.04 -1.26 -4.99 135.00 132.64 1d5v s PRO 5 Ca 0.64 0.66 0.24 0.00 0.04 0.00 0.00 61.00 62.58 1d5v s PRO 5 Cb -0.34 -2.37 1.30 0.00 0.04 0.00 0.00 34.50 33.13 1d5v s PRO 5 CO 0.29 0.04 1.85 -0.35 0.04 0.00 0.00 177.00 178.87 1d5v n PRO 6 N -0.80 1.16 -1.95 0.56 -0.04 -1.26 -4.91 135.00 127.76 1d5v n PRO 6 Ca 0.04 -0.24 -0.41 0.00 -0.04 0.00 0.00 63.50 62.85 1d5v n PRO 6 Cb 0.54 -1.39 -0.01 0.00 -0.04 0.00 0.00 33.50 32.60 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 -1.97 2.80 0.80 0.54 2.02 -1.26 -4.98 117.35 115.29 1d5v s TYR 7 Ca 0.36 1.29 -0.11 0.00 -0.37 0.00 0.00 57.07 58.24 1d5v s TYR 7 Cb 0.17 -3.85 0.07 0.00 -0.40 0.00 0.00 41.96 37.95 1d5v s TYR 7 CO 0.28 -2.45 1.09 -1.12 -1.57 0.00 0.00 175.55 171.79 1d5v s SER 8 N -0.34 4.49 0.25 2.29 0.01 -1.26 -4.80 113.70 114.35 1d5v s SER 8 Ca 0.51 1.35 -0.06 0.00 1.31 0.00 0.00 55.95 59.07 1d5v s SER 8 Cb -0.43 -2.09 0.26 0.00 0.21 0.00 0.00 66.02 63.97 1d5v s SER 8 CO 0.58 -1.98 1.93 1.88 0.41 0.00 0.00 173.24 176.06 1d5v h TYR 9 N -1.09 1.26 -0.40 2.43 0.05 -2.00 -0.87 116.97 116.35 1d5v h TYR 9 Ca -0.47 0.03 -0.16 0.00 0.05 0.00 0.00 58.73 58.18 1d5v h TYR 9 Cb 1.26 -0.43 -0.01 0.00 1.01 0.00 0.00 36.73 38.57 1d5v h TYR 9 CO 0.48 0.79 -0.37 0.82 -1.05 0.00 0.00 178.16 178.82 1d5v h ILE 10 N 1.35 1.27 -0.71 -2.88 1.08 -2.00 -2.82 117.51 112.80 1d5v h ILE 10 Ca 0.37 -1.54 0.01 0.00 -0.39 0.00 0.00 64.86 63.30 1d5v h ILE 10 Cb -0.15 1.35 -0.04 0.00 -3.07 0.00 0.00 36.82 34.92 1d5v h ILE 10 CO -0.08 0.52 0.47 0.00 -0.69 0.00 0.00 178.15 178.37 1d5v h ALA 11 N 0.78 0.91 -0.72 1.87 0.00 -1.70 0.16 119.26 120.55 1d5v h ALA 11 Ca 0.07 -0.05 0.01 0.00 0.00 0.00 0.00 54.91 54.93 1d5v h ALA 11 Cb 0.97 -0.29 -0.04 0.00 0.00 0.00 0.00 17.79 18.43 1d5v h ALA 11 CO 0.09 0.33 0.48 -0.07 0.00 0.00 0.00 179.25 180.08 1d5v h LEU 12 N 0.97 0.83 -0.34 0.00 3.38 -1.10 0.19 115.31 119.25 1d5v h LEU 12 Ca 0.26 -0.02 -0.02 0.00 0.09 0.00 0.00 57.88 58.19 1d5v h LEU 12 Cb -0.11 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.42 1d5v h LEU 12 CO -0.06 0.60 0.12 0.40 0.09 0.00 0.00 178.44 179.60 1d5v h ILE 13 N 0.98 1.19 -0.96 1.22 2.04 -1.09 -0.46 117.51 120.43 1d5v h ILE 13 Ca 0.27 -0.60 -0.00 0.00 1.00 0.00 0.00 64.86 65.52 1d5v h ILE 13 Cb -0.11 0.96 -0.05 0.00 -0.74 0.00 0.00 36.82 36.88 1d5v h ILE 13 CO -0.06 0.21 0.59 0.74 0.00 0.00 0.00 178.15 179.63 1d5v h THR 14 N 0.39 1.26 -0.53 -0.27 2.02 -0.00 -1.53 112.91 114.25 1d5v h THR 14 Ca 0.11 -0.55 -0.12 0.00 0.77 0.00 0.00 66.41 66.62 1d5v h THR 14 Cb 0.21 -0.11 -0.02 0.00 -1.74 0.00 0.00 68.15 66.49 1d5v h THR 14 CO -0.01 0.27 -0.14 0.24 0.37 0.00 0.00 175.52 176.26 1d5v h MET 15 N 1.32 1.03 -0.07 6.66 2.86 -0.31 -1.65 114.93 124.77 1d5v h MET 15 Ca 0.35 -0.39 0.00 0.00 -2.06 0.00 0.00 59.70 57.59 1d5v h MET 15 Cb -0.07 -0.06 -0.00 0.00 0.06 0.00 0.00 31.60 31.52 1d5v h MET 15 CO -0.07 1.08 0.04 0.00 1.06 0.00 0.00 176.91 179.03 1d5v h ALA 16 N 0.93 0.08 0.00 6.32 0.00 -0.45 0.99 119.26 127.13 1d5v h ALA 16 Ca 0.13 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.04 1d5v h ALA 16 Cb 0.71 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.47 1d5v h ALA 16 CO 0.05 -0.42 -0.00 0.82 0.00 0.00 0.00 179.25 179.70 1d5v h ILE 17 N 0.09 1.00 -1.01 0.00 2.04 -1.22 0.73 117.51 119.14 1d5v h ILE 17 Ca 0.02 0.00 0.01 0.00 1.00 0.00 0.00 64.86 65.89 1d5v h ILE 17 Cb -0.01 1.00 -0.05 0.00 -0.74 0.00 0.00 36.82 37.02 1d5v h ILE 17 CO -0.01 0.00 0.67 1.56 0.00 0.00 0.00 178.15 180.37 1d5v h GLN 18 N -0.00 1.33 -0.01 2.37 4.20 -1.00 -0.39 115.11 121.61 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 0.00 -0.30 0.00 0.00 0.30 0.00 0.00 27.48 27.48 1d5v h GLN 18 CO -0.00 0.88 -0.01 0.09 -0.67 0.00 0.00 178.83 179.12 1d5v n ASN 19 N -4.38 0.58 -4.69 1.46 5.03 0.34 -4.81 115.26 108.79 1d5v n ASN 19 Ca 0.12 -1.13 -0.42 0.00 0.87 0.00 0.00 54.58 54.02 1d5v n ASN 19 Cb 0.01 -0.01 -0.03 0.00 -1.02 0.00 0.00 39.78 38.73 1d5v n ASN 19 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1d5v s ALA 20 N -2.05 3.37 0.54 5.41 0.00 0.25 -4.87 121.76 124.41 1d5v s ALA 20 Ca 0.42 0.47 0.39 0.00 0.00 0.00 0.00 51.96 53.25 1d5v s ALA 20 Cb 0.21 -3.43 1.34 0.00 0.00 0.00 0.00 23.12 21.24 1d5v s ALA 20 CO 0.37 -0.55 1.37 -2.30 0.00 0.00 0.00 175.76 174.65 1d5v n PRO 21 N 4.78 0.01 -3.88 0.00 -0.02 -1.26 -4.32 135.00 130.31 1d5v n PRO 21 Ca 0.09 1.00 -0.10 0.00 -2.02 0.00 0.00 63.50 62.47 1d5v n PRO 21 Cb 0.49 -2.38 -0.09 0.00 -0.02 0.00 0.00 33.50 31.50 1d5v n PRO 21 CO 0.00 0.00 0.00 -1.83 1.98 0.00 0.00 175.50 175.65 1d5v s GLU 22 N -4.57 0.67 0.30 -0.52 -1.05 -1.26 -5.04 118.70 107.23 1d5v s GLU 22 Ca -0.04 -0.70 -0.02 0.00 -0.15 0.00 0.00 54.97 54.06 1d5v s GLU 22 Cb 0.21 0.27 0.46 0.00 -0.44 0.00 0.00 34.13 34.62 1d5v s GLU 22 CO 0.69 -0.19 1.97 0.87 0.95 0.00 0.00 175.26 179.55 1d5v h LYS 23 N 3.46 1.07 -6.62 -4.83 1.79 -1.83 -3.38 116.57 106.23 1d5v h LYS 23 Ca -0.32 -0.07 -0.56 0.00 -2.18 0.00 0.00 60.65 57.52 1d5v h LYS 23 Cb 1.19 -0.24 -0.07 0.00 -1.58 0.00 0.00 32.23 31.53 1d5v h LYS 23 CO 0.50 0.71 0.98 0.15 -1.08 0.00 0.00 179.45 180.71 1d5v s LYS 24 N -5.91 3.59 0.09 3.15 1.02 -1.24 -4.17 119.74 116.27 1d5v s LYS 24 Ca -0.11 0.49 0.03 0.00 0.02 0.00 0.00 55.97 56.40 1d5v s LYS 24 Cb 0.18 -3.98 -0.03 0.00 -0.52 0.00 0.00 37.83 33.48 1d5v s LYS 24 CO 0.79 -1.56 -0.10 -1.50 -0.92 0.00 0.00 175.35 172.06 1d5v s ILE 25 N 4.90 0.86 0.52 2.17 2.07 -1.18 -4.81 121.20 125.73 1d5v s ILE 25 Ca 0.48 -1.54 -0.15 0.00 -1.41 0.00 0.00 60.65 58.03 1d5v s ILE 25 Cb -0.08 -1.24 -0.07 0.00 0.13 0.00 0.00 42.46 41.20 1d5v s ILE 25 CO 0.29 -0.53 0.98 0.42 -1.91 0.00 0.00 174.94 174.19 1d5v s THR 26 N -2.27 4.58 0.20 4.00 -4.23 -1.26 -1.37 115.64 115.28 1d5v s THR 26 Ca 0.03 1.12 -0.12 0.00 -1.18 0.00 0.00 61.69 61.54 1d5v s THR 26 Cb -0.04 -3.75 0.12 0.00 1.34 0.00 0.00 72.50 70.18 1d5v s THR 26 CO -0.00 -0.75 1.87 0.25 -0.54 0.00 0.00 174.62 175.44 1d5v h LEU 27 N 0.74 0.77 -0.95 4.79 5.85 -1.94 -1.72 115.31 122.85 1d5v h LEU 27 Ca -0.46 -0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.23 1d5v h LEU 27 Cb 1.19 -0.19 -0.04 0.00 0.37 0.00 0.00 40.66 41.98 1d5v h LEU 27 CO 0.62 0.55 0.55 0.78 -0.34 0.00 0.00 178.44 180.60 1d5v h ASN 28 N 0.90 1.14 -0.98 1.25 -0.26 -1.95 -2.48 115.58 113.20 1d5v h ASN 28 Ca 0.25 -0.08 0.00 0.00 -0.56 0.00 0.00 56.30 55.91 1d5v h ASN 28 Cb -0.10 -0.29 -0.05 0.00 -1.06 0.00 0.00 38.32 36.82 1d5v h ASN 28 CO -0.05 0.88 0.63 1.23 -1.06 0.00 0.00 177.43 179.06 1d5v h GLY 29 N 1.29 1.40 1.01 2.83 0.00 -1.70 -2.54 103.07 105.36 1d5v h GLY 29 Ca 0.33 -0.55 0.01 0.00 0.00 0.00 0.00 47.33 47.12 1d5v h GLY 29 CO -0.06 0.53 0.59 -2.22 0.00 0.00 0.00 176.54 175.39 1d5v h ILE 30 N 1.34 1.23 -0.69 2.60 2.04 -0.95 -2.13 117.51 120.95 1d5v h ILE 30 Ca 0.36 -0.42 -0.03 0.00 1.00 0.00 0.00 64.86 65.77 1d5v h ILE 30 Cb -0.12 -0.09 -0.03 0.00 -0.74 0.00 0.00 36.82 35.84 1d5v h ILE 30 CO -0.07 0.22 0.30 1.88 0.00 0.00 0.00 178.15 180.48 1d5v h TYR 31 N 1.22 1.00 -0.63 1.37 0.05 -1.40 -2.37 116.97 116.20 1d5v h TYR 31 Ca 0.33 -0.05 0.05 0.00 0.05 0.00 0.00 58.73 59.10 1d5v h TYR 31 Cb -0.14 -0.31 -0.05 0.00 1.01 0.00 0.00 36.73 37.24 1d5v h TYR 31 CO -0.01 0.75 0.36 0.37 -1.05 0.00 0.00 178.16 178.58 1d5v h GLN 32 N 0.98 0.66 -0.24 4.88 4.15 -1.22 -1.22 115.11 123.10 1d5v h GLN 32 Ca 0.24 -0.04 0.00 0.00 0.77 0.00 0.00 58.65 59.62 1d5v h GLN 32 Cb 0.15 -0.15 -0.01 0.00 0.21 0.00 0.00 27.48 27.68 1d5v h GLN 32 CO -0.03 0.44 0.16 0.35 -1.93 0.00 0.00 178.83 177.82 1d5v h PHE 33 N 0.68 0.31 -0.01 3.99 3.04 -1.25 0.38 116.94 124.08 1d5v h PHE 33 Ca 0.28 0.01 0.00 0.00 3.98 0.00 0.00 57.97 62.23 1d5v h PHE 33 Cb 0.13 -0.10 -0.00 0.00 2.56 0.00 0.00 35.95 38.54 1d5v h PHE 33 CO -0.07 0.20 0.00 0.82 -2.02 0.00 0.00 178.31 177.24 1d5v h ILE 34 N 0.32 1.00 -0.58 1.41 2.04 -1.02 0.73 117.51 121.41 1d5v h ILE 34 Ca 0.09 -0.00 -0.11 0.00 1.00 0.00 0.00 64.86 65.84 1d5v h ILE 34 Cb -0.03 0.99 -0.02 0.00 -0.74 0.00 0.00 36.82 37.03 1d5v h ILE 34 CO -0.02 0.00 -0.06 0.24 0.00 0.00 0.00 178.15 178.31 1d5v h MET 35 N 0.00 1.06 -0.25 2.37 2.86 -1.15 0.99 114.93 120.82 1d5v h MET 35 Ca 0.00 -0.37 -0.12 0.00 -2.06 0.00 0.00 59.70 57.15 1d5v h MET 35 Cb 0.00 -0.08 -0.00 0.00 0.06 0.00 0.00 31.60 31.58 1d5v h MET 35 CO -0.00 1.07 -0.31 -0.44 1.06 0.00 0.00 176.91 178.29 1d5v h ASP 36 N 0.95 0.70 -0.38 1.22 3.32 -0.66 -1.36 116.42 120.21 1d5v h ASP 36 Ca 0.16 -0.50 -0.16 0.00 0.02 0.00 0.00 57.03 56.54 1d5v h ASP 36 Cb 0.63 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.98 1d5v h ASP 36 CO 0.04 1.06 -0.41 -0.09 -1.72 0.00 0.00 179.24 178.12 1d5v h ARG 37 N 0.36 0.94 -2.67 3.56 1.12 0.54 -3.37 114.38 114.86 1d5v h ARG 37 Ca 0.03 -0.51 -0.60 0.00 -1.11 0.00 0.00 59.98 57.79 1d5v h ARG 37 Cb 0.89 0.02 -0.41 0.00 -0.01 0.00 0.00 29.97 30.46 1d5v h ARG 37 CO 0.07 1.16 -0.74 1.19 -3.11 0.00 0.00 179.97 178.55 1d5v n PHE 38 N -4.05 1.71 0.00 2.20 3.72 0.34 -4.94 117.46 116.43 1d5v n PHE 38 Ca -0.02 -3.92 0.00 0.00 -0.05 0.00 0.00 57.45 53.45 1d5v n PHE 38 Cb 0.56 -0.32 0.00 0.00 -0.94 0.00 0.00 39.48 38.78 1d5v n PHE 38 CO 0.00 0.00 0.00 -2.30 -0.05 0.00 0.00 176.76 174.41 1d5v n PRO 39 N 2.07 0.00 -0.34 -1.08 -0.02 -0.51 -1.62 135.00 133.50 1d5v n PRO 39 Ca 0.24 0.12 -0.01 0.00 -2.02 0.00 0.00 63.50 61.83 1d5v n PRO 39 Cb 0.41 -1.74 0.15 0.00 -0.02 0.00 0.00 33.50 32.30 1d5v n PRO 39 CO 0.00 0.00 0.00 0.35 1.98 0.00 0.00 175.50 177.83 1d5v h PHE 40 N 0.00 1.18 0.00 6.00 3.57 -1.89 -1.45 116.94 124.34 1d5v h PHE 40 Ca 0.00 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.52 1d5v h PHE 40 Cb 0.48 -0.40 -0.00 0.00 2.79 0.00 0.00 35.95 38.82 1d5v h PHE 40 CO 0.00 0.74 -0.05 1.88 -2.23 0.00 0.00 178.31 178.65 1d5v h TYR 41 N 1.27 0.00 -0.99 0.41 -1.99 -1.58 -2.89 116.97 111.20 1d5v h TYR 41 Ca 0.35 0.00 0.01 0.00 2.00 0.00 0.00 58.73 61.09 1d5v h TYR 41 Cb -0.14 0.00 -0.05 0.00 2.00 0.00 0.00 36.73 38.54 1d5v h TYR 41 CO -0.00 0.05 0.65 0.00 -0.00 0.00 0.00 178.16 178.86 1d5v h ARG 42 N 0.00 1.30 0.00 4.88 3.08 -1.46 0.28 114.38 122.46 1d5v h ARG 42 Ca -0.00 -0.08 0.00 0.00 0.07 0.00 0.00 59.98 59.97 1d5v h ARG 42 Cb 0.53 -0.29 0.00 0.00 0.08 0.00 0.00 29.97 30.28 1d5v h ARG 42 CO 0.01 0.86 0.00 0.39 -1.07 0.00 0.00 179.97 180.15 1d5v n GLU 43 N -4.38 0.05 -3.89 0.04 4.71 -1.09 -4.62 120.64 111.45 1d5v n GLU 43 Ca 0.12 0.05 -0.28 0.00 -0.01 0.00 0.00 57.16 57.04 1d5v n GLU 43 Cb 0.01 -1.50 -0.17 0.00 -1.01 0.00 0.00 31.44 28.78 1d5v n GLU 43 CO 0.00 0.00 0.00 -0.80 0.09 0.00 0.00 177.13 176.42 1d5v s ASN 44 N -2.95 2.60 -0.03 1.62 0.01 0.09 -4.97 114.94 111.31 1d5v s ASN 44 Ca 0.14 -0.54 0.12 0.00 -0.71 0.00 0.00 52.86 51.88 1d5v s ASN 44 Cb 0.17 -0.89 0.37 0.00 0.41 0.00 0.00 41.25 41.32 1d5v s ASN 44 CO 0.47 -0.16 1.31 0.29 -1.51 0.00 0.00 177.10 177.49 1d5v n LYS 45 N 4.90 2.91 -0.58 -0.60 5.02 -1.26 -4.70 118.16 123.85 1d5v n LYS 45 Ca -0.12 -2.23 -0.18 0.00 -2.02 0.00 0.00 58.31 53.76 1d5v n LYS 45 Cb 0.49 -1.39 0.12 0.00 -0.02 0.00 0.00 35.03 34.23 1d5v n LYS 45 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 1d5v n GLN 46 N 0.42 -1.85 0.18 1.97 1.13 -1.26 -4.41 117.38 113.56 1d5v n GLN 46 Ca 0.14 -0.55 0.01 0.00 -1.94 0.00 0.00 57.00 54.67 1d5v n GLN 46 Cb 0.52 -1.40 0.07 0.00 0.11 0.00 0.00 30.24 29.55 1d5v n GLN 46 CO 0.00 0.00 0.00 0.78 -1.44 0.00 0.00 177.06 176.40 1d5v h GLY 47 N -2.49 0.00 1.05 1.08 0.00 -1.99 -0.15 103.07 100.57 1d5v h GLY 47 Ca -0.24 0.00 0.02 0.00 0.00 0.00 0.00 47.33 47.11 1d5v h GLY 47 CO 0.15 0.00 0.46 0.11 0.00 0.00 0.00 176.54 177.26 1d5v h TRP 48 N 0.00 0.00 0.00 5.60 5.08 -1.94 2.10 115.95 126.79 1d5v h TRP 48 Ca 0.00 0.00 -0.04 0.00 1.08 0.00 0.00 58.89 59.93 1d5v h TRP 48 Cb 1.35 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 27.51 1d5v h TRP 48 CO 0.00 0.00 -0.46 0.37 -1.28 0.00 0.00 178.44 177.07 1d5v h GLN 49 N 0.00 0.00 -0.15 0.12 4.15 -1.22 -3.25 115.11 114.75 1d5v h GLN 49 Ca 0.03 0.00 -0.13 0.00 0.77 0.00 0.00 58.65 59.33 1d5v h GLN 49 Cb 0.94 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.62 1d5v h GLN 49 CO -0.00 0.29 -0.46 -0.91 -1.93 0.00 0.00 178.83 175.82 1d5v h ASN 50 N -1.00 0.40 -1.00 -0.69 2.35 -1.38 -2.93 115.58 111.32 1d5v h ASN 50 Ca -0.06 -0.19 0.01 0.00 -0.55 0.00 0.00 56.30 55.51 1d5v h ASN 50 Cb 0.57 -0.11 -0.05 0.00 0.05 0.00 0.00 38.32 38.78 1d5v h ASN 50 CO -0.04 0.80 0.66 0.28 -1.65 0.00 0.00 177.43 177.49 1d5v h SER 51 N 0.30 1.15 -0.01 5.81 0.02 0.32 -0.46 113.55 120.68 1d5v h SER 51 Ca 0.02 -0.03 0.00 0.00 -0.84 0.00 0.00 61.79 60.94 1d5v h SER 51 Cb 0.92 -0.29 -0.00 0.00 0.14 0.00 0.00 62.40 63.17 1d5v h SER 51 CO 0.08 0.84 0.01 0.40 -1.14 0.00 0.00 176.83 177.01 1d5v h ILE 52 N 1.36 1.01 -0.49 3.27 1.08 -1.55 0.28 117.51 122.47 1d5v h ILE 52 Ca 0.37 -0.02 -0.01 0.00 -0.39 0.00 0.00 64.86 64.80 1d5v h ILE 52 Cb -0.15 1.00 -0.02 0.00 -3.07 0.00 0.00 36.82 34.57 1d5v h ILE 52 CO -0.08 0.01 0.25 0.03 -0.69 0.00 0.00 178.15 177.67 1d5v h ARG 53 N 0.01 0.69 -0.86 2.37 3.08 -1.40 0.05 114.38 118.32 1d5v h ARG 53 Ca 0.00 -0.09 0.01 0.00 0.07 0.00 0.00 59.98 59.97 1d5v h ARG 53 Cb 0.00 -0.13 -0.04 0.00 0.08 0.00 0.00 29.97 29.88 1d5v h ARG 53 CO -0.00 0.55 0.57 1.25 -1.07 0.00 0.00 179.97 181.27 1d5v h HIS 54 N 0.64 1.08 -0.76 3.04 2.76 -0.77 -1.82 115.15 119.34 1d5v h HIS 54 Ca 0.17 0.03 -0.06 0.00 -2.20 0.00 0.00 60.37 58.31 1d5v h HIS 54 Cb 0.08 -0.37 -0.03 0.00 1.55 0.00 0.00 27.41 28.64 1d5v h HIS 54 CO -0.01 0.68 0.25 -0.97 -1.30 0.00 0.00 177.93 176.58 1d5v h ASN 55 N 1.17 1.09 -0.22 3.26 -0.73 0.20 -0.94 115.58 119.41 1d5v h ASN 55 Ca 0.31 -0.20 0.00 0.00 1.87 0.00 0.00 56.30 58.28 1d5v h ASN 55 Cb -0.14 -0.29 -0.01 0.00 0.27 0.00 0.00 38.32 38.16 1d5v h ASN 55 CO -0.07 1.00 0.15 -0.07 -0.37 0.00 0.00 177.43 178.07 1d5v h LEU 56 N 1.12 0.25 -0.83 0.34 3.38 -0.20 0.34 115.31 119.70 1d5v h LEU 56 Ca 0.25 -0.01 -0.04 0.00 0.09 0.00 0.00 57.88 58.17 1d5v h LEU 56 Cb 0.29 -0.06 -0.04 0.00 0.09 0.00 0.00 40.66 40.94 1d5v h LEU 56 CO -0.01 0.18 0.38 0.28 0.09 0.00 0.00 178.44 179.37 1d5v h SER 57 N 0.30 1.11 0.03 -0.43 0.02 -1.16 -3.03 113.55 110.39 1d5v h SER 57 Ca 0.08 -0.15 -0.00 0.00 -0.84 0.00 0.00 61.79 60.88 1d5v h SER 57 Cb -0.03 -0.28 0.00 0.00 0.14 0.00 0.00 62.40 62.22 1d5v h SER 57 CO -0.02 0.94 -0.01 0.25 -1.14 0.00 0.00 176.83 176.85 1d5v h LEU 58 N 1.19 -0.03 -9.13 5.07 6.46 -0.55 -3.40 115.31 114.92 1d5v h LEU 58 Ca 0.28 -0.28 -0.56 0.00 -0.12 0.00 0.00 57.88 57.20 1d5v h LEU 58 Cb 0.14 0.01 -0.02 0.00 -0.73 0.00 0.00 40.66 40.06 1d5v h LEU 58 CO -0.03 0.26 1.07 0.20 -0.62 0.00 0.00 178.44 179.32 1d5v s ASN 59 N -5.45 6.58 0.00 1.25 0.01 0.11 -4.82 114.94 112.63 1d5v s ASN 59 Ca -0.15 1.82 0.27 0.00 -0.71 0.00 0.00 52.86 54.09 1d5v s ASN 59 Cb 0.03 -2.53 0.91 0.00 0.41 0.00 0.00 41.25 40.07 1d5v s ASN 59 CO 0.66 -1.06 1.66 -0.62 -1.51 0.00 0.00 177.10 176.23 1d5v n GLU 60 N 7.29 1.26 -0.32 -0.60 1.02 -1.26 -3.97 120.64 124.05 1d5v n GLU 60 Ca 0.17 -0.73 -0.01 0.00 -0.02 0.00 0.00 57.16 56.57 1d5v n GLU 60 Cb 0.44 -1.48 0.16 0.00 -0.02 0.00 0.00 31.44 30.53 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 -6.01 3.21 -0.18 0.00 0.08 -1.25 -4.37 117.98 109.45 1d5v s PHE 62 Ca -0.12 1.59 -0.03 0.00 0.12 0.00 0.00 56.93 58.48 1d5v s PHE 62 Cb 0.18 -2.92 -0.02 0.00 -0.57 0.00 0.00 43.02 39.69 1d5v s PHE 62 CO 0.81 -0.37 -0.05 0.08 -0.10 0.00 0.00 175.22 175.59 1d5v s VAL 63 N -2.14 3.60 0.30 -0.44 1.01 -1.16 -5.01 120.40 116.55 1d5v s VAL 63 Ca 0.64 -0.44 -0.29 0.00 0.00 0.00 0.00 61.98 61.88 1d5v s VAL 63 Cb -0.11 -2.59 -0.10 0.00 0.00 0.00 0.00 36.38 33.57 1d5v s VAL 63 CO 0.17 0.46 1.21 -0.54 0.00 0.00 0.00 175.10 176.40 1d5v s LYS 64 N 0.83 4.49 -0.49 2.72 -0.14 -1.26 -3.77 119.74 122.12 1d5v s LYS 64 Ca -0.01 2.02 0.05 0.00 -1.36 0.00 0.00 55.97 56.66 1d5v s LYS 64 Cb -0.15 -3.13 0.19 0.00 -1.68 0.00 0.00 37.83 33.06 1d5v s LYS 64 CO 0.02 0.00 0.44 1.33 -0.76 0.00 0.00 175.35 176.38 1d5v n VAL 65 N 1.03 -0.22 -0.61 3.17 0.24 -1.19 -5.02 118.33 115.74 1d5v n VAL 65 Ca -0.00 -3.99 -0.31 0.00 -2.04 0.00 0.00 64.34 58.00 1d5v n VAL 65 Cb 0.43 -1.86 0.20 0.00 -1.47 0.00 0.00 33.84 31.14 1d5v n VAL 65 CO 0.00 0.00 0.00 -2.65 -2.14 0.00 0.00 176.83 172.04 1d5v n PRO 66 N 2.22 -1.85 -2.09 7.34 -0.02 -1.26 -3.13 135.00 136.21 1d5v n PRO 66 Ca 0.26 -0.52 -0.28 0.00 -2.02 0.00 0.00 63.50 60.94 1d5v n PRO 66 Cb 0.46 -1.85 0.13 0.00 -0.02 0.00 0.00 33.50 32.22 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 -3.74 1.35 0.66 -0.52 0.52 -1.26 -4.83 118.95 111.14 1d5v s ARG 67 Ca 0.60 -0.40 -0.17 0.00 -0.52 0.00 0.00 55.73 55.23 1d5v s ARG 67 Cb -0.16 -2.01 -0.01 0.00 0.52 0.00 0.00 34.95 33.29 1d5v s ARG 67 CO 0.66 -1.88 1.21 -0.25 0.02 0.00 0.00 175.30 175.06 1d5v n ASP 68 N -3.37 1.68 0.25 0.23 8.00 -1.26 -4.85 116.55 117.23 1d5v n ASP 68 Ca 0.12 0.79 0.16 0.00 0.71 0.00 0.00 54.79 56.58 1d5v n ASP 68 Cb 0.60 -1.52 0.69 0.00 -0.02 0.00 0.00 41.12 40.87 1d5v n ASP 68 CO 0.00 0.00 0.00 0.44 -0.39 0.00 0.00 177.20 177.25 1d5v h ASP 69 N 0.34 0.00 -0.88 -2.24 3.32 -2.02 -2.69 116.42 112.25 1d5v h ASP 69 Ca -0.50 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 56.53 1d5v h ASP 69 Cb 1.34 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 40.85 1d5v h ASP 69 CO 0.52 0.00 0.45 0.11 -1.72 0.00 0.00 179.24 178.60 1d5v h LYS 70 N 0.00 1.25 -6.98 3.56 1.79 -2.04 -3.42 116.57 110.73 1d5v h LYS 70 Ca 0.00 -0.17 -0.46 0.00 -2.18 0.00 0.00 60.65 57.85 1d5v h LYS 70 Cb 0.41 -0.23 -0.02 0.00 -1.58 0.00 0.00 32.23 30.81 1d5v h LYS 70 CO 0.00 0.94 0.28 0.15 -1.08 0.00 0.00 179.45 179.73 1d5v s LYS 71 N -5.77 4.14 0.00 3.15 -0.14 -1.01 -4.89 119.74 115.21 1d5v s LYS 71 Ca -0.13 0.97 0.00 0.00 -1.36 0.00 0.00 55.97 55.46 1d5v s LYS 71 Cb 0.17 -2.24 0.00 0.00 -1.68 0.00 0.00 37.83 34.07 1d5v s LYS 71 CO 0.83 -0.01 0.19 -0.35 -0.76 0.00 0.00 175.35 175.26 1d5v n PRO 72 N -0.67 0.24 -2.98 -1.68 -0.04 -1.26 -4.81 135.00 123.79 1d5v n PRO 72 Ca 0.06 0.00 -0.12 0.00 -0.04 0.00 0.00 63.50 63.40 1d5v n PRO 72 Cb 0.54 -1.04 0.01 0.00 -0.04 0.00 0.00 33.50 32.97 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 -0.02 -1.09 0.21 0.55 0.00 -1.26 -4.87 105.19 98.70 1d5v n GLY 73 Ca 0.00 1.18 -0.01 0.00 0.00 0.00 0.00 46.02 47.19 1d5v n GLY 73 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1d5v h LYS 74 N 1.85 0.26 0.00 1.61 1.57 -1.96 -3.48 116.57 116.42 1d5v h LYS 74 Ca -0.09 -0.10 0.00 0.00 -1.87 0.00 0.00 60.65 58.58 1d5v h LYS 74 Cb 1.07 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.36 1d5v h LYS 74 CO 0.22 0.56 0.00 0.41 -0.57 0.00 0.00 179.45 180.07 1d5v n GLY 75 N -0.38 1.94 2.84 3.86 0.00 -1.26 -5.15 105.19 107.05 1d5v n GLY 75 Ca -0.01 -0.72 -0.23 0.00 0.00 0.00 0.00 46.02 45.05 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 1.55 1.61 1.05 1.61 0.15 -1.26 -4.10 113.70 114.30 1d5v s SER 76 Ca 0.00 -0.16 -0.17 0.00 0.70 0.00 0.00 55.95 56.32 1d5v s SER 76 Cb 0.00 -0.56 0.22 0.00 -1.71 0.00 0.00 66.02 63.97 1d5v s SER 76 CO 0.00 -0.13 1.21 -0.31 1.20 0.00 0.00 173.24 175.21 1d5v s TYR 77 N 1.61 1.31 0.03 3.44 2.02 -1.18 -4.25 117.35 120.33 1d5v s TYR 77 Ca 0.01 0.46 0.01 0.00 -0.37 0.00 0.00 57.07 57.18 1d5v s TYR 77 Cb -0.13 -3.76 -0.02 0.00 -0.40 0.00 0.00 41.96 37.65 1d5v s TYR 77 CO -0.04 -3.07 -0.05 -1.58 -1.57 0.00 0.00 175.55 169.23 1d5v s TRP 78 N -3.46 0.43 0.13 2.71 0.52 -0.47 -3.15 118.94 115.65 1d5v s TRP 78 Ca 0.71 -0.52 -0.20 0.00 0.02 0.00 0.00 56.10 56.11 1d5v s TRP 78 Cb -0.08 -0.28 0.05 0.00 -1.15 0.00 0.00 33.47 32.02 1d5v s TRP 78 CO 0.54 -0.15 0.52 -0.08 0.02 0.00 0.00 176.95 177.80 1d5v s THR 79 N -1.42 0.03 0.94 2.01 -1.32 -1.25 -3.13 115.64 111.50 1d5v s THR 79 Ca -0.13 -0.24 -0.13 0.00 -1.21 0.00 0.00 61.69 59.97 1d5v s THR 79 Cb -0.10 -1.06 0.16 0.00 -1.51 0.00 0.00 72.50 69.99 1d5v s THR 79 CO -0.00 -0.13 1.15 -0.76 -2.21 0.00 0.00 174.62 172.66 1d5v s LEU 80 N -2.67 1.95 1.02 9.08 1.43 -1.26 -2.99 118.68 125.24 1d5v s LEU 80 Ca 0.01 0.89 -0.16 0.00 -1.03 0.00 0.00 54.13 53.84 1d5v s LEU 80 Cb 0.00 -3.14 0.12 0.00 0.03 0.00 0.00 46.19 43.20 1d5v s LEU 80 CO -0.11 -2.70 0.07 0.47 0.23 0.00 0.00 176.35 174.31 1d5v n ASP 81 N -3.85 -2.82 -1.32 2.29 8.00 -1.26 -4.73 116.55 112.86 1d5v n ASP 81 Ca 0.08 -0.28 0.00 0.00 0.71 0.00 0.00 54.79 55.30 1d5v n ASP 81 Cb 0.59 -0.78 0.00 0.00 -0.02 0.00 0.00 41.12 40.91 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 -1.38 2.89 -0.99 -0.24 -0.02 -1.26 -4.79 135.00 129.21 1d5v n PRO 82 Ca 0.04 0.00 -0.20 0.00 -2.02 0.00 0.00 63.50 61.31 1d5v n PRO 82 Cb 0.44 0.00 0.12 0.00 -0.02 0.00 0.00 33.50 34.05 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 4.31 -3.44 2.55 8.00 -1.26 -4.82 116.55 121.90 1d5v n ASP 83 Ca 0.00 -3.29 -0.36 0.00 0.71 0.00 0.00 54.79 51.84 1d5v n ASP 83 Cb 0.00 -0.81 -0.08 0.00 -0.02 0.00 0.00 41.12 40.21 1d5v n ASP 83 CO 0.00 0.00 0.00 -0.24 -0.39 0.00 0.00 177.20 176.57 1d5v n SER 84 N -0.70 1.50 -0.00 -2.24 2.88 -1.26 -4.54 113.62 109.26 1d5v n SER 84 Ca 0.47 -2.46 -0.00 0.00 -1.33 0.00 0.00 58.87 55.55 1d5v n SER 84 Cb 1.25 -0.70 -0.00 0.00 -0.75 0.00 0.00 64.21 64.02 1d5v n SER 84 CO 0.00 0.00 0.00 0.22 -1.23 0.00 0.00 175.04 174.03 1d5v h TYR 85 N 8.92 0.00 -0.04 0.66 5.03 -2.01 -3.41 116.97 126.12 1d5v h TYR 85 Ca 0.28 0.00 -0.00 0.00 2.58 0.00 0.00 58.73 61.59 1d5v h TYR 85 Cb 0.55 0.00 -0.00 0.00 1.55 0.00 0.00 36.73 38.83 1d5v h TYR 85 CO 1.28 0.00 -0.03 0.09 -1.32 0.00 0.00 178.16 178.18 1d5v n ASN 86 N -2.07 2.54 -4.51 -2.11 3.02 -1.26 -4.95 115.26 105.92 1d5v n ASN 86 Ca -0.00 -3.13 -0.42 0.00 -0.03 0.00 0.00 54.58 51.00 1d5v n ASN 86 Cb 0.00 -0.46 -0.03 0.00 -0.61 0.00 0.00 39.78 38.68 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 -2.90 3.32 0.00 3.52 -1.94 -1.26 -4.74 119.30 115.30 1d5v s MET 87 Ca 0.34 -0.82 0.17 0.00 -1.71 0.00 0.00 55.69 53.67 1d5v s MET 87 Cb 0.30 -4.57 0.10 0.00 2.01 0.00 0.00 34.83 32.67 1d5v s MET 87 CO 0.03 -2.02 0.99 1.19 -0.01 0.00 0.00 175.02 175.20 1d5v n PHE 88 N 8.42 0.00 -0.06 -0.03 3.72 -1.26 -4.87 117.46 123.38 1d5v n PHE 88 Ca 0.11 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.51 1d5v n PHE 88 Cb 0.48 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.02 1d5v n PHE 88 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10 1d5v n GLU 89 N 0.72 0.91 0.13 -1.08 1.02 -1.26 -4.85 120.64 116.23 1d5v n GLU 89 Ca 0.09 0.00 0.11 0.00 -0.02 0.00 0.00 57.16 57.34 1d5v n GLU 89 Cb 0.40 0.00 0.49 0.00 -0.02 0.00 0.00 31.44 32.31 1d5v n GLU 89 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1d5v n ASN 90 N -0.21 0.57 0.00 1.62 5.03 -1.26 -4.84 115.26 116.17 1d5v n ASN 90 Ca 0.00 0.67 0.00 0.00 0.87 0.00 0.00 54.58 56.12 1d5v n ASN 90 Cb 0.00 -0.78 0.00 0.00 -1.02 0.00 0.00 39.78 37.98 1d5v n ASN 90 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1d5v n GLY 91 N -0.40 0.78 3.31 7.41 0.00 -1.26 -5.06 105.19 109.97 1d5v n GLY 91 Ca 0.01 -0.63 -0.45 0.00 0.00 0.00 0.00 46.02 44.95 1d5v n GLY 91 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1d5v s SER 92 N -0.27 6.89 0.09 1.61 0.15 -1.26 -4.89 113.70 116.01 1d5v s SER 92 Ca 0.00 -3.13 -0.23 0.00 0.70 0.00 0.00 55.95 53.29 1d5v s SER 92 Cb 0.00 -2.18 -0.15 0.00 -1.71 0.00 0.00 66.02 61.98 1d5v s SER 92 CO 0.00 -0.42 1.74 0.15 1.20 0.00 0.00 173.24 175.91 1d5v h PHE 93 N 7.18 0.01 -0.01 3.44 3.57 -2.03 -3.52 116.94 125.58 1d5v h PHE 93 Ca 0.14 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.64 1d5v h PHE 93 Cb 0.96 -0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.69 1d5v h PHE 93 CO 0.89 0.01 0.00 1.28 -2.23 0.00 0.00 178.31 178.26