#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 4.18 -0.04 -0.89 1.43 -1.26 -5.08 118.68 117.02 1d5v s LEU 2 Ca 0.00 1.32 -0.06 0.00 -1.03 0.00 0.00 54.13 54.36 1d5v s LEU 2 Cb 0.00 -3.86 0.01 0.00 0.03 0.00 0.00 46.19 42.37 1d5v s LEU 2 CO 0.00 -0.10 0.16 0.68 0.23 0.00 0.00 176.35 177.31 1d5v s VAL 3 N -1.79 0.02 0.27 -1.59 -7.23 -1.26 -5.14 120.40 103.68 1d5v s VAL 3 Ca 0.49 -0.18 -0.29 0.00 -1.81 0.00 0.00 61.98 60.19 1d5v s VAL 3 Cb -0.13 -0.28 -0.09 0.00 0.56 0.00 0.00 36.38 36.44 1d5v s VAL 3 CO 0.19 -0.10 0.99 -0.54 -0.31 0.00 0.00 175.10 175.33 1d5v s LYS 4 N -0.29 4.74 0.68 4.82 -0.14 -1.26 -4.96 119.74 123.33 1d5v s LYS 4 Ca -0.04 1.56 -0.11 0.00 -1.36 0.00 0.00 55.97 56.03 1d5v s LYS 4 Cb -0.03 -3.17 0.00 0.00 -1.68 0.00 0.00 37.83 32.95 1d5v s LYS 4 CO 0.01 0.38 1.06 -1.25 -0.76 0.00 0.00 175.35 174.78 1d5v s PRO 5 N -1.40 3.02 0.00 -1.68 0.04 -1.26 -4.95 135.00 128.77 1d5v s PRO 5 Ca 0.44 0.96 0.25 0.00 0.04 0.00 0.00 61.00 62.68 1d5v s PRO 5 Cb -0.27 -2.00 1.24 0.00 0.04 0.00 0.00 34.50 33.51 1d5v s PRO 5 CO 0.34 -1.03 1.84 -0.35 0.04 0.00 0.00 177.00 177.83 1d5v n PRO 6 N -3.02 0.30 -2.07 0.56 -0.04 -1.26 -4.82 135.00 124.65 1d5v n PRO 6 Ca 0.07 0.05 -0.42 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 -2.64 3.14 0.81 0.54 2.02 -1.26 -4.98 117.35 114.98 1d5v s TYR 7 Ca 0.22 0.91 -0.11 0.00 -0.37 0.00 0.00 57.07 57.72 1d5v s TYR 7 Cb 0.17 -3.77 0.08 0.00 -0.40 0.00 0.00 41.96 38.03 1d5v s TYR 7 CO 0.39 -2.68 1.09 0.45 -1.57 0.00 0.00 175.55 173.23 1d5v s SER 8 N 0.84 4.30 0.41 2.29 0.15 -1.26 -4.74 113.70 115.69 1d5v s SER 8 Ca 0.64 1.53 0.07 0.00 0.70 0.00 0.00 55.95 58.90 1d5v s SER 8 Cb -0.40 -2.27 0.87 0.00 -1.71 0.00 0.00 66.02 62.52 1d5v s SER 8 CO 0.35 -2.12 2.06 1.88 1.20 0.00 0.00 173.24 176.61 1d5v h TYR 9 N -1.19 0.50 -0.45 3.44 0.05 -1.98 0.00 116.97 117.34 1d5v h TYR 9 Ca -0.46 0.01 -0.14 0.00 0.05 0.00 0.00 58.73 58.18 1d5v h TYR 9 Cb 1.26 -0.17 -0.01 0.00 1.01 0.00 0.00 36.73 38.82 1d5v h TYR 9 CO 0.50 0.31 -0.28 0.82 -1.05 0.00 0.00 178.16 178.47 1d5v h ILE 10 N 0.54 1.27 -0.45 -2.88 1.08 -1.98 -2.46 117.51 112.63 1d5v h ILE 10 Ca 0.15 -1.45 -0.06 0.00 -0.39 0.00 0.00 64.86 63.10 1d5v h ILE 10 Cb -0.06 1.22 -0.02 0.00 -3.07 0.00 0.00 36.82 34.89 1d5v h ILE 10 CO -0.03 0.50 0.04 0.00 -0.69 0.00 0.00 178.15 177.97 1d5v h ALA 11 N 0.83 0.60 -1.01 1.87 0.00 -1.51 0.75 119.26 120.80 1d5v h ALA 11 Ca 0.09 -0.24 0.01 0.00 0.00 0.00 0.00 54.91 54.77 1d5v h ALA 11 Cb 0.87 -0.17 -0.05 0.00 0.00 0.00 0.00 17.79 18.44 1d5v h ALA 11 CO 0.08 0.35 0.67 -0.07 0.00 0.00 0.00 179.25 180.28 1d5v h LEU 12 N 0.61 1.16 -0.43 0.00 3.38 -0.98 0.37 115.31 119.42 1d5v h LEU 12 Ca 0.13 -0.03 -0.15 0.00 0.09 0.00 0.00 57.88 57.93 1d5v h LEU 12 Cb 0.43 -0.29 -0.01 0.00 0.09 0.00 0.00 40.66 40.88 1d5v h LEU 12 CO 0.01 0.84 -0.31 0.40 0.09 0.00 0.00 178.44 179.48 1d5v h ILE 13 N 1.37 1.27 -0.49 1.22 2.04 -1.11 -1.41 117.51 120.39 1d5v h ILE 13 Ca 0.37 -1.48 -0.12 0.00 1.00 0.00 0.00 64.86 64.63 1d5v h ILE 13 Cb -0.16 1.27 -0.01 0.00 -0.74 0.00 0.00 36.82 37.18 1d5v h ILE 13 CO -0.08 0.50 -0.18 0.74 0.00 0.00 0.00 178.15 179.13 1d5v h THR 14 N 0.80 1.27 -0.28 -0.27 2.02 0.12 -2.93 112.91 113.64 1d5v h THR 14 Ca 0.08 -1.34 -0.15 0.00 0.77 0.00 0.00 66.41 65.77 1d5v h THR 14 Cb 0.90 1.10 -0.01 0.00 -1.74 0.00 0.00 68.15 68.40 1d5v h THR 14 CO 0.08 0.46 -0.43 0.24 0.37 0.00 0.00 175.52 176.24 1d5v h MET 15 N 0.84 0.70 -0.71 6.66 2.86 -0.25 -3.06 114.93 121.97 1d5v h MET 15 Ca 0.12 -0.38 0.05 0.00 -2.06 0.00 0.00 59.70 57.42 1d5v h MET 15 Cb 0.75 0.02 -0.05 0.00 0.06 0.00 0.00 31.60 32.38 1d5v h MET 15 CO 0.06 0.99 0.43 0.00 1.06 0.00 0.00 176.91 179.45 1d5v h ALA 16 N 0.95 0.95 -0.26 6.32 0.00 -1.16 0.68 119.26 126.74 1d5v h ALA 16 Ca 0.04 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1d5v h ALA 16 Cb 0.98 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.57 1d5v h ALA 16 CO 0.09 0.16 0.18 0.82 0.00 0.00 0.00 179.25 180.50 1d5v h ILE 17 N 0.81 1.07 -0.47 0.00 2.04 -1.44 0.30 117.51 119.81 1d5v h ILE 17 Ca 0.30 -0.12 -0.14 0.00 1.00 0.00 0.00 64.86 65.90 1d5v h ILE 17 Cb 0.11 0.68 -0.01 0.00 -0.74 0.00 0.00 36.82 36.85 1d5v h ILE 17 CO -0.15 0.07 -0.24 1.56 0.00 0.00 0.00 178.15 179.39 1d5v h GLN 18 N 0.36 1.00 0.00 2.37 1.08 -1.28 -2.72 115.11 115.91 1d5v h GLN 18 Ca 0.10 -0.44 0.00 0.00 -1.45 0.00 0.00 58.65 56.86 1d5v h GLN 18 Cb -0.04 -0.03 0.00 0.00 -0.05 0.00 0.00 27.48 27.36 1d5v h GLN 18 CO -0.02 1.12 0.00 0.09 -0.95 0.00 0.00 178.83 179.07 1d5v n ASN 19 N -4.11 0.51 -4.82 1.46 3.02 0.23 -4.78 115.26 106.78 1d5v n ASN 19 Ca -0.00 0.59 -0.33 0.00 -0.03 0.00 0.00 54.58 54.80 1d5v n ASN 19 Cb 0.47 -0.71 -0.06 0.00 -0.61 0.00 0.00 39.78 38.87 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 -3.15 3.00 0.16 5.41 0.00 0.10 -4.96 121.76 122.33 1d5v s ALA 20 Ca 0.08 0.44 -0.11 0.00 0.00 0.00 0.00 51.96 52.36 1d5v s ALA 20 Cb 0.12 -3.17 0.05 0.00 0.00 0.00 0.00 23.12 20.12 1d5v s ALA 20 CO 0.46 0.02 1.65 -1.00 0.00 0.00 0.00 175.76 176.88 1d5v h PRO 21 N 1.79 0.94 -5.64 0.00 0.13 -1.86 -3.42 132.00 123.94 1d5v h PRO 21 Ca -0.49 -0.26 -0.68 0.00 -0.87 0.00 0.00 66.00 63.70 1d5v h PRO 21 Cb 1.19 -0.10 -0.30 0.00 0.13 0.00 0.00 31.00 31.91 1d5v h PRO 21 CO 0.61 0.91 -0.84 -1.83 -0.23 0.00 0.00 178.00 176.61 1d5v s GLU 22 N -5.16 2.93 0.53 0.86 -1.05 -1.26 -5.00 118.70 110.54 1d5v s GLU 22 Ca -0.12 -0.82 0.31 0.00 -0.15 0.00 0.00 54.97 54.19 1d5v s GLU 22 Cb 0.13 -2.34 1.36 0.00 -0.44 0.00 0.00 34.13 32.83 1d5v s GLU 22 CO 0.83 0.29 1.99 0.87 0.95 0.00 0.00 175.26 180.19 1d5v h LYS 23 N 6.38 0.00 -1.32 -4.83 1.57 -1.81 -2.86 116.57 113.70 1d5v h LYS 23 Ca -0.27 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.51 1d5v h LYS 23 Cb 1.21 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.52 1d5v h LYS 23 CO 0.49 0.07 0.00 1.63 -0.57 0.00 0.00 179.45 181.07 1d5v n LYS 24 N -3.23 0.99 -1.23 3.15 5.02 -1.25 -4.18 118.16 117.43 1d5v n LYS 24 Ca -0.00 0.00 -0.35 0.00 -2.02 0.00 0.00 58.31 55.94 1d5v n LYS 24 Cb 0.31 -1.00 0.10 0.00 -0.02 0.00 0.00 35.03 34.42 1d5v n LYS 24 CO 0.00 0.00 0.00 1.51 -0.52 0.00 0.00 177.40 178.39 1d5v n ILE 25 N 0.82 2.30 -1.88 -0.18 3.06 -1.08 -4.29 119.36 118.12 1d5v n ILE 25 Ca 0.00 -0.31 -0.31 0.00 -2.50 0.00 0.00 62.75 59.64 1d5v n ILE 25 Cb 0.50 -1.07 0.03 0.00 0.54 0.00 0.00 39.64 39.63 1d5v n ILE 25 CO 0.00 0.00 0.00 0.42 -2.50 0.00 0.00 176.55 174.47 1d5v s THR 26 N -1.96 4.05 0.09 9.51 -4.23 -1.26 -2.35 115.64 119.48 1d5v s THR 26 Ca 0.72 0.66 -0.23 0.00 -1.18 0.00 0.00 61.69 61.66 1d5v s THR 26 Cb -0.32 -3.66 -0.15 0.00 1.34 0.00 0.00 72.50 69.72 1d5v s THR 26 CO 0.52 -0.87 1.74 0.25 -0.54 0.00 0.00 174.62 175.72 1d5v h LEU 27 N -0.50 -0.00 -0.98 4.79 5.85 -1.91 -2.44 115.31 120.11 1d5v h LEU 27 Ca -0.44 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.28 1d5v h LEU 27 Cb 1.22 0.00 -0.05 0.00 0.37 0.00 0.00 40.66 42.21 1d5v h LEU 27 CO 0.63 -0.00 0.61 0.78 -0.34 0.00 0.00 178.44 180.12 1d5v h ASN 28 N -0.00 1.15 -0.95 1.25 4.21 -1.93 -2.05 115.58 117.26 1d5v h ASN 28 Ca 0.00 -0.05 0.14 0.00 1.21 0.00 0.00 56.30 57.59 1d5v h ASN 28 Cb 0.00 -0.29 -0.08 0.00 -1.12 0.00 0.00 38.32 36.83 1d5v h ASN 28 CO -0.00 0.86 0.60 1.23 -1.29 0.00 0.00 177.43 178.83 1d5v h GLY 29 N 1.34 1.43 1.01 2.83 0.00 -1.82 -0.09 103.07 107.77 1d5v h GLY 29 Ca 0.35 -0.36 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1d5v h GLY 29 CO -0.07 0.11 0.54 -2.22 0.00 0.00 0.00 176.54 174.91 1d5v h ILE 30 N 0.83 1.22 -0.67 2.60 2.04 -1.08 -2.37 117.51 120.08 1d5v h ILE 30 Ca 0.48 -0.42 0.01 0.00 1.00 0.00 0.00 64.86 65.92 1d5v h ILE 30 Cb 0.63 -0.00 -0.03 0.00 -0.74 0.00 0.00 36.82 36.67 1d5v h ILE 30 CO -0.24 0.22 0.45 1.88 0.00 0.00 0.00 178.15 180.45 1d5v h TYR 31 N 1.14 0.84 -1.01 1.37 -1.99 -1.01 -2.23 116.97 114.09 1d5v h TYR 31 Ca 0.31 0.02 0.01 0.00 2.00 0.00 0.00 58.73 61.07 1d5v h TYR 31 Cb -0.11 -0.29 -0.05 0.00 2.00 0.00 0.00 36.73 38.28 1d5v h TYR 31 CO -0.01 0.53 0.67 0.37 -0.00 0.00 0.00 178.16 179.72 1d5v h GLN 32 N 0.91 1.33 -0.45 4.88 4.15 -1.14 -1.94 115.11 122.85 1d5v h GLN 32 Ca 0.25 -0.08 0.00 0.00 0.77 0.00 0.00 58.65 59.59 1d5v h GLN 32 Cb -0.11 -0.30 -0.02 0.00 0.21 0.00 0.00 27.48 27.26 1d5v h GLN 32 CO -0.05 0.88 0.30 0.35 -1.93 0.00 0.00 178.83 178.37 1d5v h PHE 33 N 1.37 0.57 -0.00 3.99 3.57 -0.96 -0.01 116.94 125.46 1d5v h PHE 33 Ca 0.37 0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.88 1d5v h PHE 33 Cb -0.16 -0.19 -0.00 0.00 2.79 0.00 0.00 35.95 38.39 1d5v h PHE 33 CO -0.00 0.36 0.00 0.82 -2.23 0.00 0.00 178.31 177.26 1d5v h ILE 34 N 0.61 1.19 -0.58 1.41 2.04 -1.12 -0.88 117.51 120.18 1d5v h ILE 34 Ca 0.16 -0.55 -0.03 0.00 1.00 0.00 0.00 64.86 65.44 1d5v h ILE 34 Cb -0.07 1.55 -0.03 0.00 -0.74 0.00 0.00 36.82 37.54 1d5v h ILE 34 CO -0.04 0.14 0.24 0.24 0.00 0.00 0.00 178.15 178.74 1d5v h MET 35 N -0.23 0.87 -0.36 2.37 2.86 -1.22 -0.66 114.93 118.55 1d5v h MET 35 Ca 0.00 -0.15 -0.16 0.00 -2.06 0.00 0.00 59.70 57.33 1d5v h MET 35 Cb 0.23 -0.14 -0.00 0.00 0.06 0.00 0.00 31.60 31.75 1d5v h MET 35 CO 0.00 0.73 -0.42 -0.44 1.06 0.00 0.00 176.91 177.85 1d5v h ASP 36 N 0.80 1.00 -0.36 1.22 3.32 -0.98 -3.21 116.42 118.21 1d5v h ASP 36 Ca 0.20 -0.48 -0.16 0.00 0.02 0.00 0.00 57.03 56.60 1d5v h ASP 36 Cb 0.18 -0.28 -0.00 0.00 0.22 0.00 0.00 39.33 39.45 1d5v h ASP 36 CO -0.02 1.27 -0.41 0.03 -1.72 0.00 0.00 179.24 178.40 1d5v h ARG 37 N 0.74 0.92 -5.00 3.56 2.47 -1.05 -3.41 114.38 112.60 1d5v h ARG 37 Ca 0.05 -0.50 -0.67 0.00 -1.26 0.00 0.00 59.98 57.60 1d5v h ARG 37 Cb 1.02 0.03 -0.36 0.00 -1.65 0.00 0.00 29.97 29.01 1d5v h ARG 37 CO 0.10 1.15 -0.84 -0.06 0.56 0.00 0.00 179.97 180.88 1d5v s PHE 38 N -4.34 2.88 -1.05 3.04 0.08 -0.27 -5.00 117.98 113.33 1d5v s PHE 38 Ca -0.11 -1.81 0.26 0.00 0.12 0.00 0.00 56.93 55.39 1d5v s PHE 38 Cb 0.11 -1.91 1.13 0.00 -0.57 0.00 0.00 43.02 41.78 1d5v s PHE 38 CO 0.88 -0.82 1.84 -0.35 -0.10 0.00 0.00 175.22 176.66 1d5v n PRO 39 N 4.58 0.05 -0.35 0.24 -0.04 -1.24 -3.54 135.00 134.69 1d5v n PRO 39 Ca -0.19 0.05 -0.02 0.00 -0.04 0.00 0.00 63.50 63.31 1d5v n PRO 39 Cb 0.48 -1.50 0.13 0.00 -0.04 0.00 0.00 33.50 32.57 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 0.00 1.21 0.00 0.54 0.04 -1.93 -1.63 116.94 115.18 1d5v h PHE 40 Ca 0.00 0.03 -0.07 0.00 2.80 0.00 0.00 57.97 60.73 1d5v h PHE 40 Cb 0.42 -0.41 -0.01 0.00 2.20 0.00 0.00 35.95 38.15 1d5v h PHE 40 CO 0.00 0.76 -0.33 1.88 -0.60 0.00 0.00 178.31 180.02 1d5v h TYR 41 N 1.31 0.00 -0.36 -0.55 -1.99 -1.85 -2.75 116.97 110.78 1d5v h TYR 41 Ca 0.35 0.00 0.00 0.00 2.00 0.00 0.00 58.73 61.09 1d5v h TYR 41 Cb -0.15 0.00 -0.02 0.00 2.00 0.00 0.00 36.73 38.56 1d5v h TYR 41 CO -0.00 0.33 0.24 0.00 -0.00 0.00 0.00 178.16 178.73 1d5v h ARG 42 N 0.00 0.48 -0.49 4.88 3.08 -1.48 0.14 114.38 120.99 1d5v h ARG 42 Ca -0.00 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.02 1d5v h ARG 42 Cb 0.76 -0.11 0.00 0.00 0.08 0.00 0.00 29.97 30.70 1d5v h ARG 42 CO 0.04 0.32 0.00 0.39 -1.07 0.00 0.00 179.97 179.65 1d5v n GLU 43 N -4.48 2.12 -3.77 0.04 1.02 -1.04 -4.81 120.64 109.72 1d5v n GLU 43 Ca 0.02 -1.75 -0.18 0.00 -0.02 0.00 0.00 57.16 55.24 1d5v n GLU 43 Cb 0.06 -1.38 -0.17 0.00 -0.02 0.00 0.00 31.44 29.94 1d5v n GLU 43 CO 0.00 0.00 0.00 1.21 1.18 0.00 0.00 177.13 179.52 1d5v s ASN 44 N -1.00 0.66 -0.05 1.62 2.47 0.47 -5.00 114.94 114.12 1d5v s ASN 44 Ca 0.33 0.03 0.08 0.00 0.42 0.00 0.00 52.86 53.71 1d5v s ASN 44 Cb 0.17 -0.17 0.12 0.00 -1.45 0.00 0.00 41.25 39.92 1d5v s ASN 44 CO 0.22 -0.17 1.01 0.29 -3.72 0.00 0.00 177.10 174.73 1d5v n LYS 45 N 4.65 1.64 0.00 0.43 5.02 -1.26 -4.73 118.16 123.90 1d5v n LYS 45 Ca -0.17 -1.76 0.00 0.00 -2.02 0.00 0.00 58.31 54.35 1d5v n LYS 45 Cb 0.50 -1.09 0.00 0.00 -0.02 0.00 0.00 35.03 34.42 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 -0.76 -1.64 0.00 1.97 1.13 -1.26 -4.55 117.38 112.26 1d5v n GLN 46 Ca 0.06 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.12 1d5v n GLN 46 Cb 0.48 0.00 0.00 0.00 0.11 0.00 0.00 30.24 30.83 1d5v n GLN 46 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1d5v n GLY 47 N 0.30 -0.17 0.28 1.08 0.00 -1.26 -1.10 105.19 104.32 1d5v n GLY 47 Ca 0.00 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.13 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 0.43 1.61 5.08 -1.95 -0.80 115.95 120.32 1d5v h TRP 48 Ca 0.00 0.00 -0.02 0.00 1.08 0.00 0.00 58.89 59.95 1d5v h TRP 48 Cb 0.51 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.67 1d5v h TRP 48 CO 0.00 0.00 -0.21 1.96 -1.28 0.00 0.00 178.44 178.91 1d5v h GLN 49 N 0.00 -0.56 -0.89 0.12 4.20 -1.35 -3.13 115.11 113.50 1d5v h GLN 49 Ca -0.00 0.04 -0.02 0.00 0.06 0.00 0.00 58.65 58.73 1d5v h GLN 49 Cb 0.00 0.13 -0.04 0.00 0.30 0.00 0.00 27.48 27.87 1d5v h GLN 49 CO 0.00 -0.29 0.47 -0.91 -0.67 0.00 0.00 178.83 177.43 1d5v h ASN 50 N -1.08 1.13 -0.45 1.46 -0.26 -1.71 -2.51 115.58 112.16 1d5v h ASN 50 Ca -0.06 -0.11 0.09 0.00 -0.56 0.00 0.00 56.30 55.66 1d5v h ASN 50 Cb 0.52 -0.29 -0.02 0.00 -1.06 0.00 0.00 38.32 37.47 1d5v h ASN 50 CO 0.10 0.92 0.31 -1.28 -1.06 0.00 0.00 177.43 176.41 1d5v h SER 51 N 1.26 0.21 0.67 5.81 0.87 -1.24 0.31 113.55 121.45 1d5v h SER 51 Ca 0.31 0.00 -0.03 0.00 -1.23 0.00 0.00 61.79 60.84 1d5v h SER 51 Cb 0.05 -0.04 0.01 0.00 -0.44 0.00 0.00 62.40 61.97 1d5v h SER 51 CO -0.05 0.13 -0.32 0.40 -0.53 0.00 0.00 176.83 176.47 1d5v h ILE 52 N 0.24 0.29 0.00 2.23 1.08 -1.38 -2.32 117.51 117.65 1d5v h ILE 52 Ca 0.21 -0.14 -0.22 0.00 -0.39 0.00 0.00 64.86 64.32 1d5v h ILE 52 Cb 0.50 0.34 -0.03 0.00 -3.07 0.00 0.00 36.82 34.56 1d5v h ILE 52 CO -0.04 0.02 -1.17 0.08 -0.69 0.00 0.00 178.15 176.35 1d5v h ARG 53 N -1.00 0.00 -1.01 2.37 0.11 -1.62 -3.31 114.38 109.92 1d5v h ARG 53 Ca -0.09 0.00 0.01 0.00 0.10 0.00 0.00 59.98 60.00 1d5v h ARG 53 Cb 0.72 0.00 -0.05 0.00 1.11 0.00 0.00 29.97 31.75 1d5v h ARG 53 CO 0.15 0.74 0.66 1.25 0.10 0.00 0.00 179.97 182.88 1d5v h HIS 54 N 0.00 1.27 0.00 4.08 2.76 -0.43 -1.60 115.15 121.23 1d5v h HIS 54 Ca -0.10 0.03 -0.04 0.00 -2.20 0.00 0.00 60.37 58.06 1d5v h HIS 54 Cb 1.78 -0.43 -0.01 0.00 1.55 0.00 0.00 27.41 30.30 1d5v h HIS 54 CO 0.00 0.80 -0.19 -0.91 -1.30 0.00 0.00 177.93 176.33 1d5v h ASN 55 N 1.36 0.00 -0.95 3.26 -0.26 -1.50 -2.95 115.58 114.55 1d5v h ASN 55 Ca 0.37 0.00 -0.01 0.00 -0.56 0.00 0.00 56.30 56.10 1d5v h ASN 55 Cb -0.15 0.00 -0.05 0.00 -1.06 0.00 0.00 38.32 37.06 1d5v h ASN 55 CO -0.08 0.19 0.56 -0.07 -1.06 0.00 0.00 177.43 176.98 1d5v h LEU 56 N 0.00 1.14 -0.18 1.61 3.38 -1.37 1.00 115.31 120.88 1d5v h LEU 56 Ca -0.00 -0.07 -0.00 0.00 0.09 0.00 0.00 57.88 57.89 1d5v h LEU 56 Cb 0.62 -0.29 -0.01 0.00 0.09 0.00 0.00 40.66 41.07 1d5v h LEU 56 CO 0.03 0.88 0.11 -1.28 0.09 0.00 0.00 178.44 178.27 1d5v h SER 57 N 1.31 0.22 -0.48 -0.43 0.87 -1.56 -2.83 113.55 110.65 1d5v h SER 57 Ca 0.34 -0.05 -0.13 0.00 -1.23 0.00 0.00 61.79 60.71 1d5v h SER 57 Cb -0.05 -0.06 -0.01 0.00 -0.44 0.00 0.00 62.40 61.84 1d5v h SER 57 CO -0.06 0.21 -0.22 -0.07 -0.53 0.00 0.00 176.83 176.15 1d5v h LEU 58 N 0.22 1.03 -8.85 2.23 4.07 -1.57 -3.40 115.31 109.04 1d5v h LEU 58 Ca 0.07 -0.40 -0.57 0.00 0.08 0.00 0.00 57.88 57.06 1d5v h LEU 58 Cb 0.03 -0.28 -0.07 0.00 1.08 0.00 0.00 40.66 41.42 1d5v h LEU 58 CO -0.01 1.20 0.89 0.20 -1.08 0.00 0.00 178.44 179.63 1d5v s ASN 59 N -6.72 6.79 0.00 -0.43 0.01 0.32 -4.85 114.94 110.06 1d5v s ASN 59 Ca -0.11 0.80 0.26 0.00 -0.71 0.00 0.00 52.86 53.09 1d5v s ASN 59 Cb 0.12 -2.55 0.97 0.00 0.41 0.00 0.00 41.25 40.21 1d5v s ASN 59 CO 0.87 -1.05 1.69 -0.62 -1.51 0.00 0.00 177.10 176.49 1d5v n GLU 60 N 7.31 1.68 -0.18 -0.60 1.02 -1.26 -4.00 120.64 124.61 1d5v n GLU 60 Ca 0.12 -1.00 0.01 0.00 -0.02 0.00 0.00 57.16 56.27 1d5v n GLU 60 Cb 0.48 -1.46 0.27 0.00 -0.02 0.00 0.00 31.44 30.71 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 -5.79 3.38 -0.11 0.00 0.08 -1.26 -4.63 117.98 109.65 1d5v s PHE 62 Ca -0.11 1.25 0.02 0.00 0.12 0.00 0.00 56.93 58.22 1d5v s PHE 62 Cb 0.18 -2.87 -0.01 0.00 -0.57 0.00 0.00 43.02 39.75 1d5v s PHE 62 CO 0.77 -1.01 -0.20 0.08 -0.10 0.00 0.00 175.22 174.77 1d5v s VAL 63 N -3.19 2.46 -0.12 -0.44 1.01 -0.65 -4.94 120.40 114.52 1d5v s VAL 63 Ca 0.57 -0.88 -0.23 0.00 0.00 0.00 0.00 61.98 61.44 1d5v s VAL 63 Cb -0.12 -1.98 -0.03 0.00 0.00 0.00 0.00 36.38 34.25 1d5v s VAL 63 CO 0.54 0.55 0.70 -0.54 0.00 0.00 0.00 175.10 176.35 1d5v s LYS 64 N 0.34 4.35 -0.49 2.72 1.02 -1.26 -2.40 119.74 124.01 1d5v s LYS 64 Ca -0.16 0.83 0.07 0.00 0.02 0.00 0.00 55.97 56.73 1d5v s LYS 64 Cb -0.17 -3.51 0.24 0.00 -0.52 0.00 0.00 37.83 33.87 1d5v s LYS 64 CO 0.08 -0.09 0.57 1.33 -0.92 0.00 0.00 175.35 176.32 1d5v n VAL 65 N 4.20 0.37 -0.69 3.17 0.24 -0.98 -4.99 118.33 119.66 1d5v n VAL 65 Ca -0.00 -4.39 -0.14 0.00 -2.04 0.00 0.00 64.34 57.77 1d5v n VAL 65 Cb 0.50 -1.99 0.07 0.00 -1.47 0.00 0.00 33.84 30.96 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 1.42 -1.03 -1.58 7.34 -0.02 -1.26 -3.40 135.00 136.48 1d5v n PRO 66 Ca 0.25 -0.30 -0.31 0.00 -2.02 0.00 0.00 63.50 61.12 1d5v n PRO 66 Cb 0.47 -1.23 0.05 0.00 -0.02 0.00 0.00 33.50 32.78 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 -2.68 2.83 1.10 -0.52 0.52 -1.26 -4.63 118.95 114.32 1d5v s ARG 67 Ca 0.23 0.90 -0.13 0.00 -0.52 0.00 0.00 55.73 56.20 1d5v s ARG 67 Cb -0.02 -1.98 0.21 0.00 0.52 0.00 0.00 34.95 33.69 1d5v s ARG 67 CO 0.26 -1.16 0.82 -3.47 0.02 0.00 0.00 175.30 171.78 1d5v n ASP 68 N -3.16 -1.47 0.23 0.23 -0.08 -1.26 -4.86 116.55 106.17 1d5v n ASP 68 Ca 0.07 -0.01 0.09 0.00 -1.51 0.00 0.00 54.79 53.44 1d5v n ASP 68 Cb 0.54 -1.25 0.53 0.00 2.34 0.00 0.00 41.12 43.28 1d5v n ASP 68 CO 0.00 0.00 0.00 0.44 0.12 0.00 0.00 177.20 177.76 1d5v h ASP 69 N -2.36 0.00 -1.00 1.67 3.32 -2.00 -2.74 116.42 113.30 1d5v h ASP 69 Ca -0.55 0.00 0.01 0.00 0.02 0.00 0.00 57.03 56.50 1d5v h ASP 69 Cb 1.32 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 40.82 1d5v h ASP 69 CO 0.45 0.23 0.66 0.11 -1.72 0.00 0.00 179.24 178.97 1d5v h LYS 70 N 0.00 1.32 -6.73 3.56 1.57 -2.04 -3.41 116.57 110.85 1d5v h LYS 70 Ca -0.00 -0.08 -0.49 0.00 -1.87 0.00 0.00 60.65 58.20 1d5v h LYS 70 Cb 0.58 -0.30 -0.02 0.00 0.08 0.00 0.00 32.23 32.58 1d5v h LYS 70 CO 0.03 0.88 0.36 0.15 -0.57 0.00 0.00 179.45 180.30 1d5v s LYS 71 N -6.10 4.83 0.04 3.15 -0.14 -1.03 -4.86 119.74 115.62 1d5v s LYS 71 Ca -0.13 1.51 0.01 0.00 -1.36 0.00 0.00 55.97 55.99 1d5v s LYS 71 Cb 0.18 -3.29 0.03 0.00 -1.68 0.00 0.00 37.83 33.07 1d5v s LYS 71 CO 0.82 0.46 0.64 -2.30 -0.76 0.00 0.00 175.35 174.21 1d5v n PRO 72 N 1.64 0.01 -1.33 -1.68 -0.02 -1.26 -4.65 135.00 127.71 1d5v n PRO 72 Ca -0.01 0.15 0.00 0.00 -2.02 0.00 0.00 63.50 61.62 1d5v n PRO 72 Cb 0.47 -1.94 0.00 0.00 -0.02 0.00 0.00 33.50 32.01 1d5v n PRO 72 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1d5v n GLY 73 N -1.12 0.47 3.81 -1.23 0.00 -1.26 -5.06 105.19 100.80 1d5v n GLY 73 Ca -0.00 -0.32 -0.36 0.00 0.00 0.00 0.00 46.02 45.33 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 -2.34 4.28 1.00 1.61 1.02 -1.26 -4.91 119.74 119.14 1d5v s LYS 74 Ca 0.00 0.90 0.00 0.00 0.02 0.00 0.00 55.97 56.89 1d5v s LYS 74 Cb 0.00 -2.90 0.00 0.00 -0.52 0.00 0.00 37.83 34.41 1d5v s LYS 74 CO 0.00 0.40 0.00 0.41 -0.92 0.00 0.00 175.35 175.24 1d5v n GLY 75 N 0.78 0.45 3.51 -3.33 0.00 -1.26 -4.70 105.19 100.65 1d5v n GLY 75 Ca -0.02 -0.76 -0.09 0.00 0.00 0.00 0.00 46.02 45.15 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 -4.00 -0.79 0.61 1.61 1.04 -1.26 -4.60 113.70 106.31 1d5v s SER 76 Ca 0.00 1.30 -0.11 0.00 0.48 0.00 0.00 55.95 57.62 1d5v s SER 76 Cb 0.00 1.18 -0.04 0.00 0.10 0.00 0.00 66.02 67.26 1d5v s SER 76 CO 0.00 -0.22 1.02 -0.31 0.98 0.00 0.00 173.24 174.70 1d5v s TYR 77 N 1.47 3.63 0.01 5.02 2.02 -1.22 -3.23 117.35 125.05 1d5v s TYR 77 Ca -0.09 1.27 0.02 0.00 -0.37 0.00 0.00 57.07 57.90 1d5v s TYR 77 Cb -0.06 -2.70 -0.01 0.00 -0.40 0.00 0.00 41.96 38.79 1d5v s TYR 77 CO -0.16 -0.67 -0.08 -1.58 -1.57 0.00 0.00 175.55 171.49 1d5v s TRP 78 N -3.16 0.70 0.19 2.71 0.52 -0.99 -2.31 118.94 116.59 1d5v s TRP 78 Ca 0.55 -0.24 -0.11 0.00 0.02 0.00 0.00 56.10 56.32 1d5v s TRP 78 Cb -0.11 -0.43 -0.00 0.00 -1.15 0.00 0.00 33.47 31.77 1d5v s TRP 78 CO 0.54 -0.02 0.36 -0.08 0.02 0.00 0.00 176.95 177.76 1d5v s THR 79 N -0.54 0.04 -0.27 2.01 -1.32 -1.01 -3.81 115.64 110.74 1d5v s THR 79 Ca -0.01 -1.30 -0.10 0.00 -1.21 0.00 0.00 61.69 59.07 1d5v s THR 79 Cb -0.05 -1.88 -0.04 0.00 -1.51 0.00 0.00 72.50 69.01 1d5v s THR 79 CO 0.00 -0.20 0.16 -0.76 -2.21 0.00 0.00 174.62 171.61 1d5v s LEU 80 N -2.97 3.88 -0.38 9.08 1.43 -1.26 -1.63 118.68 126.82 1d5v s LEU 80 Ca 0.17 -0.09 -0.01 0.00 -1.03 0.00 0.00 54.13 53.17 1d5v s LEU 80 Cb 0.02 -2.06 0.24 0.00 0.03 0.00 0.00 46.19 44.42 1d5v s LEU 80 CO 0.02 -0.06 1.08 -0.67 0.23 0.00 0.00 176.35 176.95 1d5v n ASP 81 N 5.02 -1.88 -1.32 2.29 -0.08 -1.26 -4.99 116.55 114.33 1d5v n ASP 81 Ca -0.15 -1.97 0.00 0.00 -1.51 0.00 0.00 54.79 51.17 1d5v n ASP 81 Cb 0.52 1.04 0.00 0.00 2.34 0.00 0.00 41.12 45.02 1d5v n ASP 81 CO 0.00 0.00 0.00 -2.65 0.12 0.00 0.00 177.20 174.67 1d5v n PRO 82 N 1.98 2.71 -1.11 -0.67 -0.02 -1.26 -4.69 135.00 131.95 1d5v n PRO 82 Ca 0.07 0.00 -0.19 0.00 -2.02 0.00 0.00 63.50 61.36 1d5v n PRO 82 Cb 0.66 0.00 -0.02 0.00 -0.02 0.00 0.00 33.50 34.12 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 6.31 -3.68 2.55 8.00 -1.26 -4.83 116.55 123.64 1d5v n ASP 83 Ca 0.00 -3.03 -0.41 0.00 0.71 0.00 0.00 54.79 52.06 1d5v n ASP 83 Cb 0.00 -1.16 -0.10 0.00 -0.02 0.00 0.00 41.12 39.84 1d5v n ASP 83 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 1d5v n SER 84 N 0.79 1.43 -0.16 -2.24 7.64 -1.26 -4.61 113.62 115.21 1d5v n SER 84 Ca 0.37 -2.54 -0.08 0.00 1.01 0.00 0.00 58.87 57.62 1d5v n SER 84 Cb 0.59 -0.81 0.01 0.00 -1.01 0.00 0.00 64.21 62.99 1d5v n SER 84 CO 0.00 0.00 0.00 0.22 -3.01 0.00 0.00 175.04 172.25 1d5v h TYR 85 N 9.72 0.64 -0.05 1.43 3.20 -2.00 -3.34 116.97 126.57 1d5v h TYR 85 Ca 0.27 -0.02 -0.19 0.00 3.14 0.00 0.00 58.73 61.93 1d5v h TYR 85 Cb 0.73 -0.20 -0.39 0.00 1.54 0.00 0.00 36.73 38.41 1d5v h TYR 85 CO 1.06 0.48 -1.03 -1.71 -1.64 0.00 0.00 178.16 175.32 1d5v n ASN 86 N -4.68 1.02 -0.51 -2.11 5.15 -1.26 -4.83 115.26 108.04 1d5v n ASN 86 Ca 0.01 -2.00 0.12 0.00 -0.60 0.00 0.00 54.58 52.11 1d5v n ASN 86 Cb 0.08 -0.31 0.45 0.00 -0.53 0.00 0.00 39.78 39.48 1d5v n ASN 86 CO 0.00 0.00 0.00 0.23 1.40 0.00 0.00 177.26 178.89 1d5v n MET 87 N 0.37 1.68 0.28 1.20 2.81 -1.25 -3.84 117.12 118.37 1d5v n MET 87 Ca 0.05 -1.01 0.17 0.00 -1.81 0.00 0.00 57.70 55.11 1d5v n MET 87 Cb 1.10 -1.43 0.69 0.00 -0.71 0.00 0.00 33.22 32.87 1d5v n MET 87 CO 0.00 0.00 0.00 0.27 1.51 0.00 0.00 175.97 177.75 1d5v h PHE 88 N 2.22 0.00 -0.93 2.03 -0.00 -1.88 -2.87 116.94 115.51 1d5v h PHE 88 Ca 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 57.97 57.96 1d5v h PHE 88 Cb 0.48 0.00 -0.04 0.00 -0.00 0.00 0.00 35.95 36.38 1d5v h PHE 88 CO 0.06 0.00 0.54 0.93 -0.00 0.00 0.00 178.31 179.84 1d5v h GLU 89 N 0.00 1.28 -3.93 6.09 5.08 -1.99 -3.43 114.58 117.68 1d5v h GLU 89 Ca -0.00 -0.13 -0.18 0.00 -1.00 0.00 0.00 59.36 58.05 1d5v h GLU 89 Cb 0.51 -0.26 -0.22 0.00 0.50 0.00 0.00 28.75 29.27 1d5v h GLU 89 CO 0.00 0.91 -0.70 -0.80 -1.00 0.00 0.00 179.01 177.42 1d5v s ASN 90 N -6.21 0.19 -0.00 1.42 0.02 -1.08 -5.03 114.94 104.24 1d5v s ASN 90 Ca -0.13 -0.40 0.23 0.00 -1.02 0.00 0.00 52.86 51.54 1d5v s ASN 90 Cb 0.17 0.08 0.66 0.00 0.02 0.00 0.00 41.25 42.19 1d5v s ASN 90 CO 0.83 -0.24 1.55 0.61 0.02 0.00 0.00 177.10 179.87 1d5v n GLY 91 N 1.87 2.50 2.58 0.66 0.00 -1.26 -4.65 105.19 106.90 1d5v n GLY 91 Ca -0.22 -0.81 -0.27 0.00 0.00 0.00 0.00 46.02 44.72 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 1.67 1.34 -4.18 1.61 7.64 -1.26 -5.05 113.62 115.39 1d5v n SER 92 Ca 0.25 -2.83 -0.40 0.00 1.01 0.00 0.00 58.87 56.90 1d5v n SER 92 Cb 0.64 -0.65 -0.09 0.00 -1.01 0.00 0.00 64.21 63.10 1d5v n SER 92 CO 0.00 0.00 0.00 0.72 -3.01 0.00 0.00 175.04 172.75 1d5v s PHE 93 N -0.88 3.48 -2.00 1.43 -0.71 -1.26 -5.24 117.98 112.81 1d5v s PHE 93 Ca 0.30 -2.11 0.17 0.00 -1.04 0.00 0.00 56.93 54.25 1d5v s PHE 93 Cb 0.03 -3.43 0.99 0.00 -1.21 0.00 0.00 43.02 39.40 1d5v s PHE 93 CO -0.17 -0.97 1.40 -0.11 -1.34 0.00 0.00 175.22 174.04