#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 4.25 0.16 4.03 1.43 -1.26 -5.04 118.68 122.25 1d5v s LEU 2 Ca 0.00 2.42 0.06 0.00 -1.03 0.00 0.00 54.13 55.57 1d5v s LEU 2 Cb 0.00 -3.94 -0.04 0.00 0.03 0.00 0.00 46.19 42.24 1d5v s LEU 2 CO 0.00 -0.64 -0.12 0.68 0.23 0.00 0.00 176.35 176.50 1d5v s VAL 3 N -1.35 1.35 -0.18 -1.59 -7.23 -1.26 -5.07 120.40 105.08 1d5v s VAL 3 Ca 0.55 -2.11 -0.32 0.00 -1.81 0.00 0.00 61.98 58.30 1d5v s VAL 3 Cb -0.33 -1.91 -0.09 0.00 0.56 0.00 0.00 36.38 34.61 1d5v s VAL 3 CO 0.42 -0.70 2.07 0.29 -0.31 0.00 0.00 175.10 176.87 1d5v n LYS 4 N -0.25 1.94 -1.15 4.82 5.02 -1.26 -4.87 118.16 122.41 1d5v n LYS 4 Ca -0.10 0.63 -0.38 0.00 -2.02 0.00 0.00 58.31 56.45 1d5v n LYS 4 Cb 0.60 -2.84 0.03 0.00 -0.02 0.00 0.00 35.03 32.80 1d5v n LYS 4 CO 0.00 0.00 0.00 -2.30 -0.52 0.00 0.00 177.40 174.58 1d5v n PRO 5 N 7.79 0.02 -0.01 1.97 -0.02 -1.26 -4.74 135.00 138.75 1d5v n PRO 5 Ca 0.29 0.01 0.00 0.00 -2.02 0.00 0.00 63.50 61.78 1d5v n PRO 5 Cb 0.34 -1.07 0.00 0.00 -0.02 0.00 0.00 33.50 32.75 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 1.70 0.79 -4.62 0.52 -0.04 -1.26 -4.78 135.00 127.31 1d5v n PRO 6 Ca 0.04 0.00 -0.33 0.00 -0.04 0.00 0.00 63.50 63.17 1d5v n PRO 6 Cb 0.51 -1.11 -0.13 0.00 -0.04 0.00 0.00 33.50 32.74 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 0.22 2.91 0.86 0.54 2.02 -1.26 -5.10 117.35 117.53 1d5v s TYR 7 Ca 0.00 -0.28 -0.10 0.00 -0.37 0.00 0.00 57.07 56.32 1d5v s TYR 7 Cb 0.00 -1.82 0.11 0.00 -0.40 0.00 0.00 41.96 39.85 1d5v s TYR 7 CO 0.00 0.05 1.11 0.45 -1.57 0.00 0.00 175.55 175.59 1d5v s SER 8 N -0.10 3.63 0.25 2.29 0.15 -1.26 -4.74 113.70 113.92 1d5v s SER 8 Ca 0.00 1.93 -0.06 0.00 0.70 0.00 0.00 55.95 58.53 1d5v s SER 8 Cb -0.13 -2.50 0.26 0.00 -1.71 0.00 0.00 66.02 61.94 1d5v s SER 8 CO 0.03 -2.61 1.93 1.88 1.20 0.00 0.00 173.24 175.67 1d5v h TYR 9 N -1.53 1.26 -0.70 3.44 0.05 -1.99 -1.10 116.97 116.42 1d5v h TYR 9 Ca -0.45 0.03 -0.04 0.00 0.05 0.00 0.00 58.73 58.33 1d5v h TYR 9 Cb 1.25 -0.43 -0.03 0.00 1.01 0.00 0.00 36.73 38.54 1d5v h TYR 9 CO 0.52 0.79 0.28 0.82 -1.05 0.00 0.00 178.16 179.53 1d5v h ILE 10 N 1.36 1.24 -0.51 -2.88 2.04 -1.99 -1.90 117.51 114.88 1d5v h ILE 10 Ca 0.37 -0.76 -0.00 0.00 1.00 0.00 0.00 64.86 65.47 1d5v h ILE 10 Cb -0.15 0.44 -0.02 0.00 -0.74 0.00 0.00 36.82 36.34 1d5v h ILE 10 CO -0.08 0.31 0.31 0.00 0.00 0.00 0.00 178.15 178.69 1d5v h ALA 11 N 1.13 0.65 -0.87 1.87 0.00 -1.60 0.66 119.26 121.09 1d5v h ALA 11 Ca 0.23 -0.06 0.01 0.00 0.00 0.00 0.00 54.91 55.09 1d5v h ALA 11 Cb 0.20 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 17.74 1d5v h ALA 11 CO -0.02 0.13 0.58 -0.07 0.00 0.00 0.00 179.25 179.86 1d5v h LEU 12 N 0.68 1.00 -0.30 0.00 3.38 -0.91 0.09 115.31 119.24 1d5v h LEU 12 Ca 0.18 -0.03 -0.13 0.00 0.09 0.00 0.00 57.88 57.99 1d5v h LEU 12 Cb -0.03 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 40.47 1d5v h LEU 12 CO -0.04 0.72 -0.33 0.40 0.09 0.00 0.00 178.44 179.28 1d5v h ILE 13 N 1.18 1.29 -1.00 1.22 2.04 -0.60 -2.26 117.51 119.39 1d5v h ILE 13 Ca 0.32 -1.51 0.01 0.00 1.00 0.00 0.00 64.86 64.68 1d5v h ILE 13 Cb -0.13 1.56 -0.05 0.00 -0.74 0.00 0.00 36.82 37.46 1d5v h ILE 13 CO -0.07 0.49 0.65 0.74 0.00 0.00 0.00 178.15 179.95 1d5v h THR 14 N 0.52 1.26 -0.28 -0.27 2.02 0.93 -2.25 112.91 114.84 1d5v h THR 14 Ca 0.04 -0.49 -0.15 0.00 0.77 0.00 0.00 66.41 66.58 1d5v h THR 14 Cb 0.91 -0.19 -0.01 0.00 -1.74 0.00 0.00 68.15 67.12 1d5v h THR 14 CO 0.08 0.26 -0.43 0.24 0.37 0.00 0.00 175.52 176.03 1d5v h MET 15 N 1.36 0.70 -0.39 6.66 2.86 -0.93 -2.95 114.93 122.24 1d5v h MET 15 Ca 0.36 -0.38 0.01 0.00 -2.06 0.00 0.00 59.70 57.63 1d5v h MET 15 Cb -0.14 0.02 -0.02 0.00 0.06 0.00 0.00 31.60 31.52 1d5v h MET 15 CO -0.08 1.00 0.26 0.00 1.06 0.00 0.00 176.91 179.15 1d5v h ALA 16 N 0.95 0.49 -0.01 6.32 0.00 -0.84 1.01 119.26 127.19 1d5v h ALA 16 Ca 0.04 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1d5v h ALA 16 Cb 0.98 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.62 1d5v h ALA 16 CO 0.09 -0.05 0.00 0.82 0.00 0.00 0.00 179.25 180.11 1d5v h ILE 17 N 0.52 1.00 -0.50 0.00 2.04 -1.42 -0.01 117.51 119.14 1d5v h ILE 17 Ca 0.14 -0.00 -0.10 0.00 1.00 0.00 0.00 64.86 65.90 1d5v h ILE 17 Cb -0.05 0.99 -0.02 0.00 -0.74 0.00 0.00 36.82 37.00 1d5v h ILE 17 CO -0.03 0.00 -0.10 1.56 0.00 0.00 0.00 178.15 179.57 1d5v h GLN 18 N 0.00 0.91 0.00 2.37 4.20 -1.31 -2.00 115.11 119.28 1d5v h GLN 18 Ca 0.00 -0.32 0.00 0.00 0.06 0.00 0.00 58.65 58.39 1d5v h GLN 18 Cb 0.00 -0.07 0.00 0.00 0.30 0.00 0.00 27.48 27.71 1d5v h GLN 18 CO -0.00 0.97 0.00 0.09 -0.67 0.00 0.00 178.83 179.21 1d5v n ASN 19 N -4.15 0.00 -4.81 1.46 5.03 0.35 -4.80 115.26 108.34 1d5v n ASN 19 Ca 0.02 -0.94 -0.33 0.00 0.87 0.00 0.00 54.58 54.19 1d5v n ASN 19 Cb 0.38 0.00 -0.06 0.00 -1.02 0.00 0.00 39.78 39.08 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 -2.00 2.99 0.00 5.41 0.00 -0.05 -4.98 121.76 123.13 1d5v s ALA 20 Ca 0.37 0.47 0.00 0.00 0.00 0.00 0.00 51.96 52.80 1d5v s ALA 20 Cb 0.17 -3.18 0.00 0.00 0.00 0.00 0.00 23.12 20.10 1d5v s ALA 20 CO 0.28 -0.01 0.70 -2.30 0.00 0.00 0.00 175.76 174.43 1d5v n PRO 21 N -0.72 0.00 0.00 0.00 -0.02 -1.26 -4.32 135.00 128.68 1d5v n PRO 21 Ca 0.08 0.70 0.00 0.00 -2.02 0.00 0.00 63.50 62.25 1d5v n PRO 21 Cb 0.53 -1.13 0.00 0.00 -0.02 0.00 0.00 33.50 32.88 1d5v n PRO 21 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 1d5v n GLU 22 N -2.11 0.00 0.00 -0.52 1.02 -1.26 -5.04 120.64 112.73 1d5v n GLU 22 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 1d5v n GLU 22 Cb 0.00 -0.25 0.00 0.00 -0.02 0.00 0.00 31.44 31.17 1d5v n GLU 22 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 1d5v n LYS 23 N -1.01 0.00 -3.22 3.49 3.00 -1.26 -5.00 118.16 114.16 1d5v n LYS 23 Ca 0.00 0.00 -0.39 0.00 -0.00 0.00 0.00 58.31 57.92 1d5v n LYS 23 Cb 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 35.03 34.97 1d5v n LYS 23 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.40 177.55 1d5v s LYS 24 N -0.85 4.28 0.03 1.64 1.02 -1.26 -4.71 119.74 119.89 1d5v s LYS 24 Ca 0.00 0.79 -0.02 0.00 0.02 0.00 0.00 55.97 56.76 1d5v s LYS 24 Cb 0.00 -3.27 -0.02 0.00 -0.52 0.00 0.00 37.83 34.01 1d5v s LYS 24 CO 0.00 0.54 -0.00 -1.50 -0.92 0.00 0.00 175.35 173.47 1d5v s ILE 25 N -0.82 0.15 0.62 2.17 2.07 -1.17 -4.90 121.20 119.32 1d5v s ILE 25 Ca 0.30 -1.20 -0.06 0.00 -1.41 0.00 0.00 60.65 58.28 1d5v s ILE 25 Cb -0.19 -0.75 0.02 0.00 0.13 0.00 0.00 42.46 41.67 1d5v s ILE 25 CO 0.19 -0.66 0.93 0.42 -1.91 0.00 0.00 174.94 173.91 1d5v s THR 26 N -2.38 3.31 0.08 4.00 -4.23 -1.26 -0.15 115.64 115.01 1d5v s THR 26 Ca -0.07 -0.06 -0.25 0.00 -1.18 0.00 0.00 61.69 60.13 1d5v s THR 26 Cb -0.03 -3.34 -0.16 0.00 1.34 0.00 0.00 72.50 70.31 1d5v s THR 26 CO -0.04 -0.35 1.71 0.25 -0.54 0.00 0.00 174.62 175.64 1d5v h LEU 27 N -0.28 -0.18 -0.95 4.79 5.85 -1.79 -2.03 115.31 120.70 1d5v h LEU 27 Ca -0.45 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.26 1d5v h LEU 27 Cb 1.27 0.05 -0.05 0.00 0.37 0.00 0.00 40.66 42.30 1d5v h LEU 27 CO 0.60 -0.12 0.58 0.78 -0.34 0.00 0.00 178.44 179.94 1d5v h ASN 28 N -0.22 1.15 -1.01 1.25 2.35 -1.94 -2.64 115.58 114.52 1d5v h ASN 28 Ca -0.02 -0.07 0.02 0.00 -0.55 0.00 0.00 56.30 55.68 1d5v h ASN 28 Cb 0.17 -0.29 -0.05 0.00 0.05 0.00 0.00 38.32 38.20 1d5v h ASN 28 CO 0.04 0.88 0.66 1.23 -1.65 0.00 0.00 177.43 178.59 1d5v h GLY 29 N 1.32 1.45 1.00 2.83 0.00 -1.82 -2.47 103.07 105.37 1d5v h GLY 29 Ca 0.34 -0.52 0.00 0.00 0.00 0.00 0.00 47.33 47.16 1d5v h GLY 29 CO -0.06 0.47 0.38 -2.22 0.00 0.00 0.00 176.54 175.11 1d5v h ILE 30 N 1.32 1.17 -0.34 2.60 2.04 -1.00 -2.94 117.51 120.35 1d5v h ILE 30 Ca 0.39 -0.35 0.00 0.00 1.00 0.00 0.00 64.86 65.90 1d5v h ILE 30 Cb -0.07 0.32 -0.02 0.00 -0.74 0.00 0.00 36.82 36.31 1d5v h ILE 30 CO -0.10 0.17 0.23 1.88 0.00 0.00 0.00 178.15 180.32 1d5v h TYR 31 N 0.81 0.43 -0.94 1.37 0.05 -1.41 -2.68 116.97 114.60 1d5v h TYR 31 Ca 0.22 0.01 0.01 0.00 0.05 0.00 0.00 58.73 59.02 1d5v h TYR 31 Cb -0.05 -0.14 -0.05 0.00 1.01 0.00 0.00 36.73 37.50 1d5v h TYR 31 CO -0.03 0.27 0.62 1.96 -1.05 0.00 0.00 178.16 179.94 1d5v h GLN 32 N 0.46 1.23 -1.01 4.88 4.20 -1.40 -2.06 115.11 121.42 1d5v h GLN 32 Ca 0.12 -0.07 0.01 0.00 0.06 0.00 0.00 58.65 58.77 1d5v h GLN 32 Cb -0.05 -0.28 -0.05 0.00 0.30 0.00 0.00 27.48 27.40 1d5v h GLN 32 CO -0.03 0.81 0.67 0.35 -0.67 0.00 0.00 178.83 179.97 1d5v h PHE 33 N 1.27 1.27 -0.09 2.96 3.57 -1.32 -2.71 116.94 121.90 1d5v h PHE 33 Ca 0.35 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.86 1d5v h PHE 33 Cb -0.14 -0.43 -0.00 0.00 2.79 0.00 0.00 35.95 38.17 1d5v h PHE 33 CO -0.00 0.80 -0.00 0.82 -2.23 0.00 0.00 178.31 177.69 1d5v h ILE 34 N 1.37 1.26 -1.00 1.41 2.04 -1.13 -2.18 117.51 119.28 1d5v h ILE 34 Ca 0.37 -0.83 0.01 0.00 1.00 0.00 0.00 64.86 65.41 1d5v h ILE 34 Cb -0.16 1.64 -0.05 0.00 -0.74 0.00 0.00 36.82 37.51 1d5v h ILE 34 CO -0.08 0.23 0.66 0.24 0.00 0.00 0.00 178.15 179.20 1d5v h MET 35 N -0.13 1.32 -0.47 2.37 2.86 -1.38 -1.18 114.93 118.32 1d5v h MET 35 Ca 0.02 -0.08 -0.14 0.00 -2.06 0.00 0.00 59.70 57.45 1d5v h MET 35 Cb 0.36 -0.30 -0.01 0.00 0.06 0.00 0.00 31.60 31.72 1d5v h MET 35 CO 0.01 0.88 -0.24 -0.44 1.06 0.00 0.00 176.91 178.17 1d5v h ASP 36 N 1.36 1.03 -0.52 1.22 3.32 -1.46 -3.14 116.42 118.23 1d5v h ASP 36 Ca 0.37 -0.41 -0.12 0.00 0.02 0.00 0.00 57.03 56.89 1d5v h ASP 36 Cb -0.15 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 39.10 1d5v h ASP 36 CO -0.08 1.21 -0.16 0.03 -1.72 0.00 0.00 179.24 178.52 1d5v h ARG 37 N 0.85 1.03 -4.30 3.56 2.47 -0.96 -3.42 114.38 113.61 1d5v h ARG 37 Ca 0.10 -0.41 -0.52 0.00 -1.26 0.00 0.00 59.98 57.89 1d5v h ARG 37 Cb 0.82 -0.05 -0.36 0.00 -1.65 0.00 0.00 29.97 28.73 1d5v h ARG 37 CO 0.07 1.10 -0.81 -0.06 0.56 0.00 0.00 179.97 180.83 1d5v s PHE 38 N -4.77 1.47 -1.39 3.04 0.40 -0.48 -5.00 117.98 111.25 1d5v s PHE 38 Ca -0.11 -0.69 0.25 0.00 -0.60 0.00 0.00 56.93 55.77 1d5v s PHE 38 Cb 0.13 -1.19 1.23 0.00 0.51 0.00 0.00 43.02 43.70 1d5v s PHE 38 CO 0.87 -0.45 1.82 -0.35 0.70 0.00 0.00 175.22 177.81 1d5v n PRO 39 N 4.65 0.32 -0.18 0.24 -0.04 -1.24 -3.63 135.00 135.12 1d5v n PRO 39 Ca -0.15 0.06 -0.07 0.00 -0.04 0.00 0.00 63.50 63.29 1d5v n PRO 39 Cb 0.50 -1.50 0.02 0.00 -0.04 0.00 0.00 33.50 32.49 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 0.67 0.00 0.54 3.57 -1.94 -2.39 116.94 117.39 1d5v h PHE 40 Ca 0.00 0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.48 1d5v h PHE 40 Cb 0.25 -0.23 -0.00 0.00 2.79 0.00 0.00 35.95 38.76 1d5v h PHE 40 CO 0.00 0.42 -0.16 1.88 -2.23 0.00 0.00 178.31 178.22 1d5v h TYR 41 N 0.72 0.00 -1.00 0.41 0.05 -1.85 -2.89 116.97 112.41 1d5v h TYR 41 Ca 0.19 0.00 0.01 0.00 0.05 0.00 0.00 58.73 58.98 1d5v h TYR 41 Cb -0.08 0.00 -0.05 0.00 1.01 0.00 0.00 36.73 37.61 1d5v h TYR 41 CO -0.04 0.16 0.66 0.00 -1.05 0.00 0.00 178.16 177.89 1d5v h ARG 42 N 0.00 1.32 -0.87 4.88 3.08 -1.64 -2.32 114.38 118.83 1d5v h ARG 42 Ca -0.00 -0.08 -0.03 0.00 0.07 0.00 0.00 59.98 59.94 1d5v h ARG 42 Cb 0.54 -0.30 -0.04 0.00 0.08 0.00 0.00 29.97 30.26 1d5v h ARG 42 CO 0.02 0.88 0.44 0.93 -1.07 0.00 0.00 179.97 181.17 1d5v h GLU 43 N 1.36 1.25 -4.86 0.04 5.08 -1.57 -3.38 114.58 112.49 1d5v h GLU 43 Ca 0.37 -0.17 -0.68 0.00 -1.00 0.00 0.00 59.36 57.88 1d5v h GLU 43 Cb -0.15 -0.23 -0.33 0.00 0.50 0.00 0.00 28.75 28.54 1d5v h GLU 43 CO -0.08 0.94 -0.75 -0.80 -1.00 0.00 0.00 179.01 177.32 1d5v s ASN 44 N -6.28 4.46 -0.06 1.42 0.01 -0.87 -5.01 114.94 108.62 1d5v s ASN 44 Ca -0.13 -1.10 -0.05 0.00 -0.71 0.00 0.00 52.86 50.87 1d5v s ASN 44 Cb 0.16 -1.64 -0.02 0.00 0.41 0.00 0.00 41.25 40.16 1d5v s ASN 44 CO 0.83 -0.18 -0.10 0.29 -1.51 0.00 0.00 177.10 176.44 1d5v n LYS 45 N 4.60 0.18 -2.03 -0.60 5.02 -1.25 -4.73 118.16 119.35 1d5v n LYS 45 Ca -0.15 0.20 -0.39 0.00 -2.02 0.00 0.00 58.31 55.95 1d5v n LYS 45 Cb 0.45 -0.95 0.00 0.00 -0.02 0.00 0.00 35.03 34.51 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 -1.58 3.74 0.00 1.97 -0.21 -1.26 -3.82 119.66 118.50 1d5v s GLN 46 Ca -0.08 2.10 0.00 0.00 0.02 0.00 0.00 55.36 57.40 1d5v s GLN 46 Cb 0.01 -2.57 0.00 0.00 1.00 0.00 0.00 33.01 31.45 1d5v s GLN 46 CO 0.12 -0.66 0.00 0.41 -2.12 0.00 0.00 175.29 173.04 1d5v n GLY 47 N 0.62 2.65 0.06 3.09 0.00 -1.26 -4.77 105.19 105.58 1d5v n GLY 47 Ca 0.06 -0.77 0.13 0.00 0.00 0.00 0.00 46.02 45.44 1d5v n GLY 47 CO 0.00 0.00 0.00 -2.67 0.00 0.00 0.00 173.32 170.65 1d5v n TRP 48 N 0.00 0.52 -0.10 1.61 4.27 -1.25 -3.69 117.44 118.80 1d5v n TRP 48 Ca 0.00 0.15 -0.13 0.00 -3.89 0.00 0.00 57.50 53.63 1d5v n TRP 48 Cb 0.00 -0.73 -0.04 0.00 -1.36 0.00 0.00 31.31 29.18 1d5v n TRP 48 CO 0.00 0.00 0.00 1.96 -2.29 0.00 0.00 177.69 177.36 1d5v h GLN 49 N 0.00 0.80 -0.31 -2.67 4.20 -1.86 -3.18 115.11 112.09 1d5v h GLN 49 Ca 0.00 -0.44 -0.16 0.00 0.06 0.00 0.00 58.65 58.12 1d5v h GLN 49 Cb 0.64 0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.43 1d5v h GLN 49 CO 0.00 1.07 -0.43 -0.91 -0.67 0.00 0.00 178.83 177.88 1d5v h ASN 50 N 0.57 0.84 -0.89 1.46 2.35 -1.92 -3.20 115.58 114.79 1d5v h ASN 50 Ca 0.05 -0.40 0.01 0.00 -0.55 0.00 0.00 56.30 55.41 1d5v h ASN 50 Cb 0.94 -0.24 -0.04 0.00 0.05 0.00 0.00 38.32 39.03 1d5v h ASN 50 CO 0.09 1.15 0.59 -1.28 -1.65 0.00 0.00 177.43 176.33 1d5v h SER 51 N 0.63 1.03 0.00 5.81 0.87 -1.68 -1.91 113.55 118.30 1d5v h SER 51 Ca 0.04 -0.03 0.00 0.00 -1.23 0.00 0.00 61.79 60.58 1d5v h SER 51 Cb 1.00 -0.26 -0.00 0.00 -0.44 0.00 0.00 62.40 62.70 1d5v h SER 51 CO 0.10 0.74 -0.00 0.40 -0.53 0.00 0.00 176.83 177.53 1d5v h ILE 52 N 1.21 0.99 -0.76 2.23 1.08 -1.54 -1.77 117.51 118.95 1d5v h ILE 52 Ca 0.33 0.00 -0.04 0.00 -0.39 0.00 0.00 64.86 64.76 1d5v h ILE 52 Cb -0.14 0.99 -0.03 0.00 -3.07 0.00 0.00 36.82 34.57 1d5v h ILE 52 CO -0.07 0.00 0.31 0.03 -0.69 0.00 0.00 178.15 177.73 1d5v h ARG 53 N -0.01 1.13 -1.01 2.37 3.08 -1.55 -1.84 114.38 116.56 1d5v h ARG 53 Ca 0.00 -0.20 0.01 0.00 0.07 0.00 0.00 59.98 59.86 1d5v h ARG 53 Cb 0.01 -0.19 -0.05 0.00 0.08 0.00 0.00 29.97 29.82 1d5v h ARG 53 CO -0.00 0.91 0.66 1.25 -1.07 0.00 0.00 179.97 181.72 1d5v h HIS 54 N 1.10 1.27 -0.59 3.04 2.76 -1.06 -1.67 115.15 120.00 1d5v h HIS 54 Ca 0.26 0.03 -0.10 0.00 -2.20 0.00 0.00 60.37 58.35 1d5v h HIS 54 Cb 0.20 -0.43 -0.02 0.00 1.55 0.00 0.00 27.41 28.71 1d5v h HIS 54 CO 0.02 0.80 -0.04 -0.91 -1.30 0.00 0.00 177.93 176.49 1d5v h ASN 55 N 1.36 1.05 -0.98 3.26 4.21 -0.74 -2.14 115.58 121.61 1d5v h ASN 55 Ca 0.37 -0.32 0.00 0.00 1.21 0.00 0.00 56.30 57.56 1d5v h ASN 55 Cb -0.16 -0.28 -0.05 0.00 -1.12 0.00 0.00 38.32 36.71 1d5v h ASN 55 CO -0.08 1.12 0.62 -0.07 -1.29 0.00 0.00 177.43 177.73 1d5v h LEU 56 N 0.96 1.15 -0.30 1.61 3.38 -0.53 -1.50 115.31 120.08 1d5v h LEU 56 Ca 0.16 -0.05 -0.19 0.00 0.09 0.00 0.00 57.88 57.89 1d5v h LEU 56 Cb 0.61 -0.29 0.00 0.00 0.09 0.00 0.00 40.66 41.07 1d5v h LEU 56 CO 0.04 0.86 -0.54 -1.28 0.09 0.00 0.00 178.44 177.61 1d5v h SER 57 N 1.34 0.99 -0.45 -0.43 0.87 -1.14 -3.27 113.55 111.44 1d5v h SER 57 Ca 0.35 -0.53 -0.14 0.00 -1.23 0.00 0.00 61.79 60.25 1d5v h SER 57 Cb -0.10 -0.28 -0.01 0.00 -0.44 0.00 0.00 62.40 61.56 1d5v h SER 57 CO -0.07 1.33 -0.27 -0.07 -0.53 0.00 0.00 176.83 177.21 1d5v h LEU 58 N 0.68 1.03 -9.27 2.23 3.38 -1.07 -3.43 115.31 108.86 1d5v h LEU 58 Ca 0.02 -0.42 -0.54 0.00 0.09 0.00 0.00 57.88 57.03 1d5v h LEU 58 Cb 1.15 -0.29 0.01 0.00 0.09 0.00 0.00 40.66 41.62 1d5v h LEU 58 CO 0.12 1.22 1.23 0.20 0.09 0.00 0.00 178.44 181.31 1d5v s ASN 59 N -6.77 6.35 0.04 -0.43 0.02 -0.59 -4.85 114.94 108.72 1d5v s ASN 59 Ca -0.11 2.43 0.06 0.00 -1.02 0.00 0.00 52.86 54.21 1d5v s ASN 59 Cb 0.12 -2.53 -0.23 0.00 0.02 0.00 0.00 41.25 38.63 1d5v s ASN 59 CO 0.88 -1.16 0.98 -0.33 0.02 0.00 0.00 177.10 177.48 1d5v h GLU 60 N 11.00 0.07 0.00 -0.60 5.08 -1.88 -3.21 114.58 125.03 1d5v h GLU 60 Ca -0.46 -0.12 0.00 0.00 -1.00 0.00 0.00 59.36 57.78 1d5v h GLU 60 Cb 1.22 0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.52 1d5v h GLU 60 CO 0.95 0.88 0.00 0.00 -1.00 0.00 0.00 179.01 179.84 1d5v s PHE 62 N -2.92 3.76 -0.08 0.00 0.40 -1.22 -4.58 117.98 113.34 1d5v s PHE 62 Ca 0.05 1.20 0.03 0.00 -0.60 0.00 0.00 56.93 57.62 1d5v s PHE 62 Cb 0.06 -2.50 0.01 0.00 0.51 0.00 0.00 43.02 41.10 1d5v s PHE 62 CO 0.16 0.53 -0.19 0.08 0.70 0.00 0.00 175.22 176.50 1d5v s VAL 63 N -0.83 1.65 0.42 -0.44 1.01 -0.93 -5.02 120.40 116.26 1d5v s VAL 63 Ca 0.29 -0.78 -0.23 0.00 0.00 0.00 0.00 61.98 61.26 1d5v s VAL 63 Cb -0.19 -1.45 -0.09 0.00 0.00 0.00 0.00 36.38 34.65 1d5v s VAL 63 CO 0.17 0.47 1.02 -0.54 0.00 0.00 0.00 175.10 176.23 1d5v s LYS 64 N 0.49 4.10 -0.38 2.72 1.02 -1.26 -3.32 119.74 123.10 1d5v s LYS 64 Ca -0.17 1.40 0.10 0.00 0.02 0.00 0.00 55.97 57.32 1d5v s LYS 64 Cb -0.17 -2.37 0.30 0.00 -0.52 0.00 0.00 37.83 35.07 1d5v s LYS 64 CO 0.07 -0.18 0.64 0.28 -0.92 0.00 0.00 175.35 175.23 1d5v n VAL 65 N -0.38 -0.40 -0.78 3.17 0.31 -1.19 -4.99 118.33 114.07 1d5v n VAL 65 Ca 0.06 -4.33 -0.29 0.00 -0.01 0.00 0.00 64.34 59.78 1d5v n VAL 65 Cb 0.51 -1.03 0.03 0.00 -0.91 0.00 0.00 33.84 32.44 1d5v n VAL 65 CO 0.00 0.00 0.00 -2.65 -1.32 0.00 0.00 176.83 172.86 1d5v n PRO 66 N 0.79 0.00 -0.05 5.55 -0.02 -1.26 -4.24 135.00 135.77 1d5v n PRO 66 Ca 0.23 0.00 -0.07 0.00 -2.02 0.00 0.00 63.50 61.64 1d5v n PRO 66 Cb 0.60 -0.78 0.07 0.00 -0.02 0.00 0.00 33.50 33.38 1d5v n PRO 66 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1d5v n ARG 67 N 1.94 -2.65 -1.89 -0.52 1.74 -1.26 -4.88 116.66 109.14 1d5v n ARG 67 Ca -0.02 -0.35 -0.30 0.00 -0.77 0.00 0.00 57.85 56.42 1d5v n ARG 67 Cb 0.48 -0.45 0.06 0.00 -1.02 0.00 0.00 32.46 31.53 1d5v n ARG 67 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 1d5v s ASP 68 N -2.25 5.07 0.20 0.55 -1.08 -1.26 -4.95 116.67 112.95 1d5v s ASP 68 Ca 0.16 0.99 0.26 0.00 -0.52 0.00 0.00 52.55 53.44 1d5v s ASP 68 Cb -0.03 -1.67 0.86 0.00 -1.46 0.00 0.00 42.92 40.62 1d5v s ASP 68 CO 0.13 -1.56 1.78 0.47 0.52 0.00 0.00 175.17 176.51 1d5v n ASP 69 N -3.13 0.73 -0.35 -0.34 8.00 -1.26 -3.49 116.55 116.71 1d5v n ASP 69 Ca 0.07 0.58 -0.03 0.00 0.71 0.00 0.00 54.79 56.12 1d5v n ASP 69 Cb 0.59 -0.77 0.10 0.00 -0.02 0.00 0.00 41.12 41.01 1d5v n ASP 69 CO 0.00 0.00 0.00 0.11 -0.39 0.00 0.00 177.20 176.92 1d5v h LYS 70 N 0.00 1.27 -6.70 -1.24 1.79 -1.99 -3.42 116.57 106.29 1d5v h LYS 70 Ca 0.00 -0.10 -0.50 0.00 -2.18 0.00 0.00 60.65 57.87 1d5v h LYS 70 Cb 0.69 -0.27 -0.02 0.00 -1.58 0.00 0.00 32.23 31.04 1d5v h LYS 70 CO 0.00 0.87 0.07 0.15 -1.08 0.00 0.00 179.45 179.46 1d5v s LYS 71 N -6.02 3.95 0.00 3.15 3.01 -1.23 -5.07 119.74 117.53 1d5v s LYS 71 Ca -0.13 0.59 0.00 0.00 -1.01 0.00 0.00 55.97 55.42 1d5v s LYS 71 Cb 0.17 -2.46 0.00 0.00 -1.01 0.00 0.00 37.83 34.54 1d5v s LYS 71 CO 0.82 0.16 0.00 -2.30 0.51 0.00 0.00 175.35 174.54 1d5v n PRO 72 N -0.42 0.61 -0.47 -1.68 -0.02 -1.26 -4.83 135.00 126.93 1d5v n PRO 72 Ca 0.03 0.00 -0.19 0.00 -2.02 0.00 0.00 63.50 61.32 1d5v n PRO 72 Cb 0.53 0.00 0.17 0.00 -0.02 0.00 0.00 33.50 34.18 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 0.00 -2.69 3.11 -1.23 0.00 -1.26 -4.95 105.19 98.17 1d5v n GLY 73 Ca 0.00 -0.97 -0.12 0.00 0.00 0.00 0.00 46.02 44.94 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 -3.74 0.66 0.00 1.61 1.02 -1.26 -4.94 119.74 113.09 1d5v s LYS 74 Ca 0.40 -1.02 0.00 0.00 0.02 0.00 0.00 55.97 55.37 1d5v s LYS 74 Cb -0.07 -0.23 0.00 0.00 -0.52 0.00 0.00 37.83 37.01 1d5v s LYS 74 CO 0.35 0.01 0.00 0.41 -0.92 0.00 0.00 175.35 175.20 1d5v n GLY 75 N 0.78 0.77 3.01 -3.33 0.00 -1.26 -4.92 105.19 100.24 1d5v n GLY 75 Ca -0.18 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.80 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 -1.00 -0.43 0.57 1.61 1.04 -1.26 -4.80 113.70 109.44 1d5v s SER 76 Ca 0.00 -0.10 -0.09 0.00 0.48 0.00 0.00 55.95 56.24 1d5v s SER 76 Cb 0.00 1.49 -0.04 0.00 0.10 0.00 0.00 66.02 67.57 1d5v s SER 76 CO 0.00 -0.33 0.94 -0.31 0.98 0.00 0.00 173.24 174.53 1d5v s TYR 77 N 2.66 3.61 -0.04 5.02 1.51 -1.26 -2.18 117.35 126.67 1d5v s TYR 77 Ca 0.10 1.12 -0.02 0.00 -1.01 0.00 0.00 57.07 57.27 1d5v s TYR 77 Cb -0.12 -2.57 0.03 0.00 -0.11 0.00 0.00 41.96 39.19 1d5v s TYR 77 CO -0.28 -0.55 0.09 -1.58 -1.11 0.00 0.00 175.55 172.13 1d5v s TRP 78 N -3.03 -0.07 -0.02 2.71 0.52 0.79 -3.19 118.94 116.65 1d5v s TRP 78 Ca 0.52 0.30 -0.23 0.00 0.02 0.00 0.00 56.10 56.72 1d5v s TRP 78 Cb -0.11 -0.13 0.05 0.00 -1.15 0.00 0.00 33.47 32.13 1d5v s TRP 78 CO 0.51 -0.12 0.50 -0.08 0.02 0.00 0.00 176.95 177.78 1d5v s THR 79 N 0.98 0.03 0.25 2.01 -1.32 -1.21 -3.02 115.64 113.35 1d5v s THR 79 Ca -0.08 -0.25 -0.06 0.00 -1.21 0.00 0.00 61.69 60.09 1d5v s THR 79 Cb -0.11 -0.85 0.25 0.00 -1.51 0.00 0.00 72.50 70.29 1d5v s THR 79 CO -0.04 -0.14 1.92 -0.07 -2.21 0.00 0.00 174.62 174.08 1d5v h LEU 80 N 3.30 1.15 -8.20 9.08 3.38 -1.87 -2.47 115.31 119.67 1d5v h LEU 80 Ca -0.29 -0.04 -0.07 0.00 0.09 0.00 0.00 57.88 57.58 1d5v h LEU 80 Cb 1.17 -0.29 -0.06 0.00 0.09 0.00 0.00 40.66 41.57 1d5v h LEU 80 CO 0.40 0.85 0.00 1.51 0.09 0.00 0.00 178.44 181.29 1d5v s ASP 81 N -6.13 0.08 0.89 -0.43 -4.77 -1.26 -4.14 116.67 100.91 1d5v s ASP 81 Ca -0.13 -1.01 -0.14 0.00 -3.30 0.00 0.00 52.55 47.97 1d5v s ASP 81 Cb 0.18 0.68 0.14 0.00 -1.09 0.00 0.00 42.92 42.82 1d5v s ASP 81 CO 0.82 -1.31 1.22 -2.84 0.70 0.00 0.00 175.17 173.76 1d5v s PRO 82 N -3.51 1.26 -1.45 2.11 0.02 -1.26 -4.92 135.00 127.24 1d5v s PRO 82 Ca 0.21 -0.05 -0.09 0.00 0.02 0.00 0.00 61.00 61.08 1d5v s PRO 82 Cb -0.02 -1.88 0.04 0.00 0.02 0.00 0.00 34.50 32.65 1d5v s PRO 82 CO 0.11 -2.06 2.46 -0.25 -0.33 0.00 0.00 177.00 176.94 1d5v n ASP 83 N -3.60 6.94 -0.15 2.53 8.00 -1.26 -4.68 116.55 124.33 1d5v n ASP 83 Ca 0.10 -2.88 0.27 0.00 0.71 0.00 0.00 54.79 52.99 1d5v n ASP 83 Cb 0.60 -1.51 0.72 0.00 -0.02 0.00 0.00 41.12 40.91 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 5.22 0.00 0.45 -2.24 0.87 -2.00 1.02 113.55 116.88 1d5v h SER 84 Ca 0.68 0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 61.24 1d5v h SER 84 Cb 0.42 -0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 62.38 1d5v h SER 84 CO 1.69 0.00 -0.02 0.22 -0.53 0.00 0.00 176.83 178.20 1d5v h TYR 85 N 0.00 0.00 -0.01 2.24 3.20 -1.96 -1.14 116.97 119.31 1d5v h TYR 85 Ca 0.39 0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.26 1d5v h TYR 85 Cb 1.57 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.84 1d5v h TYR 85 CO -0.00 0.02 -0.02 -1.71 -1.64 0.00 0.00 178.16 174.81 1d5v n ASN 86 N -3.18 0.60 -4.78 -2.11 2.85 0.35 -4.88 115.26 104.12 1d5v n ASN 86 Ca -0.01 -1.09 -0.34 0.00 -0.11 0.00 0.00 54.58 53.03 1d5v n ASN 86 Cb 0.19 -0.02 0.02 0.00 1.24 0.00 0.00 39.78 41.21 1d5v n ASN 86 CO 0.00 0.00 0.00 -0.04 -2.11 0.00 0.00 177.26 175.11 1d5v s MET 87 N -2.09 3.15 0.20 1.20 -1.94 -0.43 -4.93 119.30 114.46 1d5v s MET 87 Ca 0.41 1.48 -0.11 0.00 -1.71 0.00 0.00 55.69 55.76 1d5v s MET 87 Cb 0.21 -1.99 0.14 0.00 2.01 0.00 0.00 34.83 35.21 1d5v s MET 87 CO 0.38 -0.98 1.87 0.74 -0.01 0.00 0.00 175.02 177.02 1d5v h PHE 88 N 0.69 0.91 -3.96 -0.03 -1.00 -1.89 -3.42 116.94 108.24 1d5v h PHE 88 Ca -0.48 0.02 -0.53 0.00 2.81 0.00 0.00 57.97 59.78 1d5v h PHE 88 Cb 1.25 -0.31 0.09 0.00 3.61 0.00 0.00 35.95 40.60 1d5v h PHE 88 CO 0.53 0.58 0.65 -1.21 -1.61 0.00 0.00 178.31 177.26 1d5v s GLU 89 N -6.12 3.90 0.03 1.51 2.02 -1.26 -5.02 118.70 113.76 1d5v s GLU 89 Ca -0.13 2.27 -0.13 0.00 0.02 0.00 0.00 54.97 57.00 1d5v s GLU 89 Cb 0.15 -2.75 0.02 0.00 0.10 0.00 0.00 34.13 31.64 1d5v s GLU 89 CO 0.78 -0.59 0.27 1.21 0.02 0.00 0.00 175.26 176.95 1d5v s ASN 90 N -0.62 -0.09 0.00 -0.19 2.47 -1.26 -4.93 114.94 110.32 1d5v s ASN 90 Ca 0.58 -0.20 0.00 0.00 0.42 0.00 0.00 52.86 53.66 1d5v s ASN 90 Cb -0.40 0.33 0.00 0.00 -1.45 0.00 0.00 41.25 39.73 1d5v s ASN 90 CO 0.52 -0.57 0.00 0.61 -3.72 0.00 0.00 177.10 173.94 1d5v n GLY 91 N 0.72 1.81 3.51 1.21 0.00 -1.26 -4.74 105.19 106.43 1d5v n GLY 91 Ca -0.19 -0.17 -0.00 0.00 0.00 0.00 0.00 46.02 45.66 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 0.00 -0.71 -0.56 1.61 0.15 -1.26 -5.11 113.70 107.81 1d5v s SER 92 Ca 0.00 1.01 -0.04 0.00 0.70 0.00 0.00 55.95 57.62 1d5v s SER 92 Cb 0.00 1.72 0.15 0.00 -1.71 0.00 0.00 66.02 66.17 1d5v s SER 92 CO 0.00 -0.14 0.38 0.72 1.20 0.00 0.00 173.24 175.40 1d5v s PHE 93 N 2.33 3.48 -2.23 3.44 -0.71 -1.26 -5.08 117.98 117.94 1d5v s PHE 93 Ca -0.05 -2.51 0.30 0.00 -1.04 0.00 0.00 56.93 53.64 1d5v s PHE 93 Cb -0.07 -3.27 1.51 0.00 -1.21 0.00 0.00 43.02 39.97 1d5v s PHE 93 CO -0.18 -0.90 2.00 1.28 -1.34 0.00 0.00 175.22 176.08