#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1v54 n ILE 8 N 0.00 0.00 0.00 -0.18 0.13 -1.26 -4.98 119.36 113.07 1v54 n ILE 8 Ca 0.00 0.00 0.00 0.00 -1.10 0.00 0.00 62.75 61.65 1v54 n ILE 8 Cb 0.00 -0.23 0.00 0.00 -0.84 0.00 0.00 39.64 38.57 1v54 n ILE 8 CO 0.00 0.00 0.00 1.17 2.80 0.00 0.00 176.55 180.52 1v54 n LYS 9 N -2.05 0.00 -2.71 9.51 3.00 -1.26 -4.97 118.16 119.69 1v54 n LYS 9 Ca 0.00 0.00 -0.08 0.00 -0.00 0.00 0.00 58.31 58.23 1v54 n LYS 9 Cb 0.11 0.00 0.02 0.00 0.00 0.00 0.00 35.03 35.16 1v54 n LYS 9 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.40 175.69 1v54 n ASN 10 N 0.00 -3.28 -4.72 3.14 5.15 -1.26 -5.01 115.26 109.28 1v54 n ASN 10 Ca 0.00 -0.14 -0.42 0.00 -0.60 0.00 0.00 54.58 53.42 1v54 n ASN 10 Cb 0.00 -1.99 -0.03 0.00 -0.53 0.00 0.00 39.78 37.23 1v54 n ASN 10 CO 0.00 0.00 0.00 -0.47 1.40 0.00 0.00 177.26 178.19 1v54 s TYR 11 N -2.95 2.98 -0.07 1.20 6.14 -1.26 -4.98 117.35 118.41 1v54 s TYR 11 Ca 0.15 0.49 -0.06 0.00 0.64 0.00 0.00 57.07 58.30 1v54 s TYR 11 Cb -0.07 -4.02 -0.02 0.00 0.42 0.00 0.00 41.96 38.27 1v54 s TYR 11 CO 0.19 -3.82 -0.11 1.04 0.64 0.00 0.00 175.55 173.48 1v54 n GLN 12 N 4.03 0.22 -3.94 4.97 6.02 -1.26 -5.08 117.38 122.33 1v54 n GLN 12 Ca 0.15 0.24 -0.09 0.00 -0.01 0.00 0.00 57.00 57.28 1v54 n GLN 12 Cb 0.37 -1.05 -0.06 0.00 1.02 0.00 0.00 30.24 30.53 1v54 n GLN 12 CO 0.00 0.00 0.00 -0.08 -1.01 0.00 0.00 177.06 175.97 1v54 s THR 13 N -1.69 0.03 0.02 5.09 -1.32 -1.26 -5.12 115.64 111.40 1v54 s THR 13 Ca -0.09 -1.31 -0.33 0.00 -1.21 0.00 0.00 61.69 58.75 1v54 s THR 13 Cb 0.01 -1.94 -0.11 0.00 -1.51 0.00 0.00 72.50 68.95 1v54 s THR 13 CO 0.14 -0.15 1.86 0.00 -2.21 0.00 0.00 174.62 174.25 1v54 n ALA 14 N -0.30 1.40 -1.63 11.08 0.00 -1.26 -4.97 120.51 124.84 1v54 n ALA 14 Ca -0.06 0.29 -0.29 0.00 0.00 0.00 0.00 53.44 53.39 1v54 n ALA 14 Cb 0.63 -2.55 0.11 0.00 0.00 0.00 0.00 19.45 17.64 1v54 n ALA 14 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1v54 s PRO 15 N 3.46 1.59 0.32 0.00 0.04 -1.26 -4.98 135.00 134.17 1v54 s PRO 15 Ca 0.88 0.34 -0.29 0.00 0.04 0.00 0.00 61.00 61.97 1v54 s PRO 15 Cb -0.58 -1.89 -0.12 0.00 0.04 0.00 0.00 34.50 31.95 1v54 s PRO 15 CO 0.44 -1.90 1.44 0.34 0.04 0.00 0.00 177.00 177.36 1v54 n PHE 16 N -3.57 2.60 -4.00 0.56 -0.00 -1.26 -4.98 117.46 106.82 1v54 n PHE 16 Ca 0.07 0.43 -0.31 0.00 -0.00 0.00 0.00 57.45 57.65 1v54 n PHE 16 Cb 0.59 -2.50 -0.16 0.00 -0.00 0.00 0.00 39.48 37.41 1v54 n PHE 16 CO 0.00 0.00 0.00 0.34 -0.00 0.00 0.00 176.76 177.10 1v54 s ASP 17 N 0.02 3.65 0.66 -2.13 -1.08 -1.26 -5.00 116.67 111.53 1v54 s ASP 17 Ca 0.59 -1.03 0.35 0.00 -0.52 0.00 0.00 52.55 51.94 1v54 s ASP 17 Cb -0.54 -1.27 1.91 0.00 -1.46 0.00 0.00 42.92 41.56 1v54 s ASP 17 CO 0.58 -0.17 2.08 0.77 0.52 0.00 0.00 175.17 178.95 1v54 h SER 18 N 7.94 0.00 0.89 -0.34 4.64 -2.00 0.22 113.55 124.90 1v54 h SER 18 Ca -0.25 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.02 1v54 h SER 18 Cb 1.08 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.17 1v54 h SER 18 CO 0.46 0.00 -0.24 0.03 -0.87 0.00 0.00 176.83 176.21 1v54 h ARG 19 N 0.00 0.00 -2.38 4.77 3.08 -2.02 -3.35 114.38 114.47 1v54 h ARG 19 Ca 0.01 0.00 -0.59 0.00 0.07 0.00 0.00 59.98 59.47 1v54 h ARG 19 Cb 0.44 0.00 -0.39 0.00 0.08 0.00 0.00 29.97 30.10 1v54 h ARG 19 CO -0.00 0.24 -0.91 1.19 -1.07 0.00 0.00 179.97 179.42 1v54 n PHE 20 N -3.42 0.32 1.40 3.04 3.01 0.07 -4.96 117.46 116.92 1v54 n PHE 20 Ca -0.00 -3.61 0.14 0.00 1.01 0.00 0.00 57.45 54.98 1v54 n PHE 20 Cb 0.43 -0.11 0.45 0.00 -0.01 0.00 0.00 39.48 40.24 1v54 n PHE 20 CO 0.00 0.00 0.00 -0.35 1.01 0.00 0.00 176.76 177.42 1v54 n PRO 21 N 2.16 1.78 -3.45 -1.08 -0.04 -1.23 -4.59 135.00 128.54 1v54 n PRO 21 Ca 0.26 -1.14 -0.22 0.00 -0.04 0.00 0.00 63.50 62.36 1v54 n PRO 21 Cb 0.46 -1.47 0.01 0.00 -0.04 0.00 0.00 33.50 32.46 1v54 n PRO 21 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 1v54 s ASN 22 N -1.99 4.96 0.45 3.54 0.01 -1.26 -5.02 114.94 115.63 1v54 s ASN 22 Ca 0.36 -0.94 0.11 0.00 -0.71 0.00 0.00 52.86 51.68 1v54 s ASN 22 Cb 0.21 0.10 1.03 0.00 0.41 0.00 0.00 41.25 42.99 1v54 s ASN 22 CO 0.33 -1.07 2.09 1.56 -1.51 0.00 0.00 177.10 178.49 1v54 h GLN 23 N 0.59 0.30 -6.37 -0.60 4.20 -2.06 -3.38 115.11 107.80 1v54 h GLN 23 Ca -0.35 -0.02 -0.58 0.00 0.06 0.00 0.00 58.65 57.75 1v54 h GLN 23 Cb 1.29 -0.07 -0.09 0.00 0.30 0.00 0.00 27.48 28.92 1v54 h GLN 23 CO 0.50 0.21 0.74 1.21 -0.67 0.00 0.00 178.83 180.82 1v54 s ASN 24 N -6.86 6.62 0.00 1.46 3.84 -1.26 -4.86 114.94 113.88 1v54 s ASN 24 Ca -0.07 0.41 0.14 0.00 0.21 0.00 0.00 52.86 53.55 1v54 s ASN 24 Cb 0.17 -2.50 0.41 0.00 -0.55 0.00 0.00 41.25 38.78 1v54 s ASN 24 CO 0.71 -1.08 1.34 0.00 -2.79 0.00 0.00 177.10 175.27 1v54 n GLN 25 N 7.34 2.81 -0.22 0.43 1.13 -1.26 -4.72 117.38 122.88 1v54 n GLN 25 Ca 0.09 -2.23 0.02 0.00 -1.94 0.00 0.00 57.00 52.94 1v54 n GLN 25 Cb 0.48 -1.36 0.14 0.00 0.11 0.00 0.00 30.24 29.61 1v54 n GLN 25 CO 0.00 0.00 0.00 1.15 -1.44 0.00 0.00 177.06 176.77 1v54 h THR 26 N 2.74 0.70 -0.35 5.09 2.02 -1.96 -2.08 112.91 119.08 1v54 h THR 26 Ca 0.00 -0.14 -0.12 0.00 0.77 0.00 0.00 66.41 66.93 1v54 h THR 26 Cb 0.81 0.27 -0.01 0.00 -1.74 0.00 0.00 68.15 67.47 1v54 h THR 26 CO 0.00 0.07 -0.25 -0.09 0.37 0.00 0.00 175.52 175.62 1v54 h ARG 27 N 0.40 0.71 -0.31 6.66 9.65 -1.99 -2.28 114.38 127.24 1v54 h ARG 27 Ca 0.35 -0.29 0.04 0.00 -1.10 0.00 0.00 59.98 58.97 1v54 h ARG 27 Cb 0.49 -0.03 -0.04 0.00 -1.39 0.00 0.00 29.97 29.00 1v54 h ARG 27 CO -0.36 0.89 0.09 -0.97 2.80 0.00 0.00 179.97 182.42 1v54 h ASN 28 N 0.62 0.08 0.39 -3.80 -0.73 -1.72 0.59 115.58 111.01 1v54 h ASN 28 Ca 0.08 0.04 -0.02 0.00 1.87 0.00 0.00 56.30 58.27 1v54 h ASN 28 Cb 0.75 0.04 0.00 0.00 0.27 0.00 0.00 38.32 39.38 1v54 h ASN 28 CO 0.06 0.08 -0.19 0.00 -0.37 0.00 0.00 177.43 177.01 1v54 h TRP 30 N -0.59 -0.19 -0.16 0.00 2.91 -0.99 -1.41 115.95 115.52 1v54 h TRP 30 Ca -0.05 0.03 0.03 0.00 1.13 0.00 0.00 58.89 60.03 1v54 h TRP 30 Cb 0.44 0.13 -0.03 0.00 -0.51 0.00 0.00 29.16 29.19 1v54 h TRP 30 CO -0.03 -0.14 -0.06 0.37 -1.03 0.00 0.00 178.44 177.55 1v54 h GLN 31 N -0.02 -0.03 -0.17 2.65 5.75 0.22 -0.75 115.11 122.77 1v54 h GLN 31 Ca 0.15 0.00 -0.07 0.00 -0.15 0.00 0.00 58.65 58.58 1v54 h GLN 31 Cb 0.24 0.01 -0.01 0.00 1.07 0.00 0.00 27.48 28.78 1v54 h GLN 31 CO -0.32 -0.02 -0.20 -0.91 -2.65 0.00 0.00 178.83 174.73 1v54 h ASN 32 N -0.03 0.28 -0.12 -0.69 2.35 -1.11 0.33 115.58 116.59 1v54 h ASN 32 Ca 0.08 -0.07 -0.02 0.00 -0.55 0.00 0.00 56.30 55.74 1v54 h ASN 32 Cb 0.15 -0.07 -0.00 0.00 0.05 0.00 0.00 38.32 38.44 1v54 h ASN 32 CO -0.18 0.50 0.00 0.22 -1.65 0.00 0.00 177.43 176.32 1v54 h TYR 33 N 0.26 0.24 0.10 1.19 3.20 -0.84 -1.07 116.97 120.05 1v54 h TYR 33 Ca 0.05 -0.04 0.01 0.00 3.14 0.00 0.00 58.73 61.88 1v54 h TYR 33 Cb 0.52 -0.06 -0.01 0.00 1.54 0.00 0.00 36.73 38.71 1v54 h TYR 33 CO 0.01 0.45 -0.11 -0.07 -1.64 0.00 0.00 178.16 176.80 1v54 h LEU 34 N -0.04 -0.30 -0.61 2.82 3.38 -0.81 -2.23 115.31 117.53 1v54 h LEU 34 Ca 0.04 0.03 0.10 0.00 0.09 0.00 0.00 57.88 58.13 1v54 h LEU 34 Cb 0.36 0.11 -0.07 0.00 0.09 0.00 0.00 40.66 41.14 1v54 h LEU 34 CO 0.01 -0.17 0.21 0.44 0.09 0.00 0.00 178.44 179.02 1v54 h ASP 35 N -0.24 0.19 -0.09 -0.43 3.45 -0.89 0.79 116.42 119.20 1v54 h ASP 35 Ca 0.01 0.08 -0.00 0.00 0.43 0.00 0.00 57.03 57.55 1v54 h ASP 35 Cb 0.24 0.07 -0.00 0.00 -0.56 0.00 0.00 39.33 39.08 1v54 h ASP 35 CO -0.04 0.11 0.04 0.15 -1.57 0.00 0.00 179.24 177.93 1v54 h PHE 36 N 0.38 0.13 0.00 4.55 3.57 -1.02 -1.47 116.94 123.09 1v54 h PHE 36 Ca 0.31 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.79 1v54 h PHE 36 Cb 0.39 -0.04 -0.00 0.00 2.79 0.00 0.00 35.95 39.09 1v54 h PHE 36 CO -0.18 0.24 -0.05 0.45 -2.23 0.00 0.00 178.31 176.55 1v54 h HIS 37 N -0.01 0.00 0.03 0.41 3.86 -0.87 0.18 115.15 118.74 1v54 h HIS 37 Ca 0.03 0.00 -0.07 0.00 -1.16 0.00 0.00 60.37 59.17 1v54 h HIS 37 Cb 0.17 0.00 0.01 0.00 1.06 0.00 0.00 27.41 28.64 1v54 h HIS 37 CO -0.02 0.05 -0.28 0.00 0.86 0.00 0.00 177.93 178.54 1v54 h ARG 38 N 0.00 0.14 -0.53 2.45 3.08 -0.70 -2.72 114.38 116.10 1v54 h ARG 38 Ca -0.00 -0.19 -0.04 0.00 0.07 0.00 0.00 59.98 59.82 1v54 h ARG 38 Cb 0.48 0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.57 1v54 h ARG 38 CO 0.01 1.00 0.18 0.00 -1.07 0.00 0.00 179.97 180.09 1v54 h GLU 40 N 0.72 0.66 -0.08 0.00 4.81 -0.74 -0.53 114.58 119.42 1v54 h GLU 40 Ca 0.17 -0.08 -0.21 0.00 -0.13 0.00 0.00 59.36 59.12 1v54 h GLU 40 Cb 0.25 -0.13 0.00 0.00 0.63 0.00 0.00 28.75 29.50 1v54 h GLU 40 CO -0.01 0.52 -0.80 -0.22 -0.73 0.00 0.00 179.01 177.77 1v54 h LYS 41 N 0.67 0.52 -0.28 1.92 3.64 -1.12 -1.85 116.57 120.06 1v54 h LYS 41 Ca 0.17 -0.45 -0.06 0.00 -1.27 0.00 0.00 60.65 59.04 1v54 h LYS 41 Cb 0.07 0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 31.98 1v54 h LYS 41 CO -0.02 1.08 -0.04 0.00 -2.27 0.00 0.00 179.45 178.20 1v54 h ALA 42 N 0.78 0.39 -0.16 5.00 0.00 -0.54 -1.67 119.26 123.06 1v54 h ALA 42 Ca -0.05 -0.26 -0.03 0.00 0.00 0.00 0.00 54.91 54.57 1v54 h ALA 42 Cb 1.40 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 19.08 1v54 h ALA 42 CO 0.15 0.17 -0.03 0.52 0.00 0.00 0.00 179.25 180.06 1v54 h MET 43 N 0.30 0.30 0.00 0.00 2.86 -1.16 -1.78 114.93 115.46 1v54 h MET 43 Ca 0.08 -0.11 -0.03 0.00 -2.06 0.00 0.00 59.70 57.58 1v54 h MET 43 Cb 0.50 -0.02 -0.00 0.00 0.06 0.00 0.00 31.60 32.13 1v54 h MET 43 CO 0.02 0.56 -0.12 1.15 1.06 0.00 0.00 176.91 179.58 1v54 h THR 44 N 0.02 0.81 0.00 2.22 2.02 -1.36 -0.56 112.91 116.05 1v54 h THR 44 Ca 0.04 -0.47 0.00 0.00 0.77 0.00 0.00 66.41 66.75 1v54 h THR 44 Cb 0.44 1.28 0.00 0.00 -1.74 0.00 0.00 68.15 68.13 1v54 h THR 44 CO 0.01 0.12 0.00 0.00 0.37 0.00 0.00 175.52 176.02 1v54 n ALA 45 N -2.39 -0.02 0.17 6.16 0.00 -0.63 -4.21 120.51 119.58 1v54 n ALA 45 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.42 1v54 n ALA 45 Cb 0.21 0.00 0.02 0.00 0.00 0.00 0.00 19.45 19.68 1v54 n ALA 45 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1v54 n LYS 46 N -1.32 0.08 -2.09 0.00 4.76 -0.69 -4.79 118.16 114.11 1v54 n LYS 46 Ca 0.00 0.00 -0.02 0.00 -2.87 0.00 0.00 58.31 55.42 1v54 n LYS 46 Cb 0.00 -1.11 0.00 0.00 -1.84 0.00 0.00 35.03 32.08 1v54 n LYS 46 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1v54 n GLY 47 N -0.51 -0.84 0.00 0.72 0.00 -1.15 -5.07 105.19 98.34 1v54 n GLY 47 Ca 0.00 0.30 0.00 0.00 0.00 0.00 0.00 46.02 46.32 1v54 n GLY 47 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1v54 n GLY 48 N -0.80 3.32 3.36 -0.02 0.00 -0.23 -5.05 105.19 105.77 1v54 n GLY 48 Ca 0.03 -1.34 -0.33 0.00 0.00 0.00 0.00 46.02 44.39 1v54 n GLY 48 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1v54 s ASP 49 N -0.60 3.91 0.00 1.61 3.68 -1.26 -4.59 116.67 119.42 1v54 s ASP 49 Ca 0.00 -0.35 0.08 0.00 2.13 0.00 0.00 52.55 54.42 1v54 s ASP 49 Cb 0.00 -1.55 0.40 0.00 -1.45 0.00 0.00 42.92 40.32 1v54 s ASP 49 CO 0.00 0.17 1.21 0.52 0.13 0.00 0.00 175.17 177.20 1v54 n VAL 50 N 3.46 1.11 0.32 1.11 0.31 -1.26 -2.83 118.33 120.54 1v54 n VAL 50 Ca -0.18 0.28 0.21 0.00 -0.01 0.00 0.00 64.34 64.63 1v54 n VAL 50 Cb 0.53 -1.13 1.02 0.00 -0.91 0.00 0.00 33.84 33.34 1v54 n VAL 50 CO 0.00 0.00 0.00 0.77 -1.32 0.00 0.00 176.83 176.28 1v54 h SER 51 N 0.00 0.00 0.93 4.52 4.64 -2.00 -0.39 113.55 121.25 1v54 h SER 51 Ca 0.00 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 61.23 1v54 h SER 51 Cb 0.11 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.19 1v54 h SER 51 CO 0.00 0.00 -0.41 -0.37 -0.87 0.00 0.00 176.83 175.19 1v54 h VAL 52 N 0.00 0.90 -0.03 0.95 -1.51 -1.96 -2.92 116.25 111.68 1v54 h VAL 52 Ca -0.00 -1.66 0.00 0.00 -1.23 0.00 0.00 66.70 63.81 1v54 h VAL 52 Cb 0.19 2.01 0.00 0.00 -2.13 0.00 0.00 31.29 31.37 1v54 h VAL 52 CO 0.00 0.40 0.00 0.00 -1.23 0.00 0.00 177.57 176.74 1v54 h GLU 54 N 0.58 -0.27 -0.58 0.00 4.57 -1.56 -2.88 114.58 114.44 1v54 h GLU 54 Ca 0.00 0.02 0.12 0.00 -1.18 0.00 0.00 59.36 58.32 1v54 h GLU 54 Cb 0.12 0.06 -0.11 0.00 -0.16 0.00 0.00 28.75 28.66 1v54 h GLU 54 CO 0.00 -0.18 -0.15 2.35 -1.18 0.00 0.00 179.01 179.85 1v54 h TRP 55 N -0.28 -0.33 -0.51 0.92 2.91 -1.85 -0.10 115.95 116.71 1v54 h TRP 55 Ca 0.16 0.05 -0.02 0.00 1.13 0.00 0.00 58.89 60.21 1v54 h TRP 55 Cb 0.53 0.24 -0.03 0.00 -0.51 0.00 0.00 29.16 29.39 1v54 h TRP 55 CO -0.50 -0.26 0.25 1.88 -1.03 0.00 0.00 178.44 178.78 1v54 h TYR 56 N -0.01 0.70 -0.39 2.65 0.99 -1.84 -0.80 116.97 118.27 1v54 h TYR 56 Ca 0.28 -0.02 -0.07 0.00 2.00 0.00 0.00 58.73 60.93 1v54 h TYR 56 Cb 0.44 -0.23 -0.01 0.00 1.00 0.00 0.00 36.73 37.93 1v54 h TYR 56 CO -0.49 0.52 -0.02 -0.09 -0.00 0.00 0.00 178.16 178.08 1v54 h ARG 57 N 0.72 0.71 -0.30 4.88 2.43 -0.87 -1.54 114.38 120.40 1v54 h ARG 57 Ca 0.18 -0.23 -0.03 0.00 -0.81 0.00 0.00 59.98 59.09 1v54 h ARG 57 Cb 0.07 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 29.55 1v54 h ARG 57 CO -0.03 0.81 0.06 0.00 -1.51 0.00 0.00 179.97 179.30 1v54 h ARG 58 N 0.53 0.49 -0.05 0.20 2.47 -0.66 -1.31 114.38 116.05 1v54 h ARG 58 Ca 0.11 -0.13 -0.00 0.00 -1.26 0.00 0.00 59.98 58.70 1v54 h ARG 58 Cb 0.50 -0.06 -0.00 0.00 -1.65 0.00 0.00 29.97 28.75 1v54 h ARG 58 CO 0.02 0.58 0.02 0.28 0.56 0.00 0.00 179.97 181.43 1v54 h VAL 59 N 0.33 1.13 -0.20 2.04 2.07 -1.11 -1.48 116.25 119.04 1v54 h VAL 59 Ca 0.09 -0.40 -0.08 0.00 0.82 0.00 0.00 66.70 67.14 1v54 h VAL 59 Cb 0.32 1.31 -0.01 0.00 -1.52 0.00 0.00 31.29 31.38 1v54 h VAL 59 CO 0.00 0.11 -0.21 0.10 0.02 0.00 0.00 177.57 177.59 1v54 h TYR 60 N -0.07 0.38 -0.69 1.57 -0.00 -1.28 -1.03 116.97 115.85 1v54 h TYR 60 Ca 0.02 -0.07 -0.07 0.00 0.00 0.00 0.00 58.73 58.61 1v54 h TYR 60 Cb 0.16 -0.10 -0.03 0.00 0.00 0.00 0.00 36.73 36.76 1v54 h TYR 60 CO -0.02 0.55 0.14 0.87 -0.00 0.00 0.00 178.16 179.70 1v54 h LYS 61 N 0.32 1.12 -0.17 0.10 1.57 -1.10 0.64 116.57 119.05 1v54 h LYS 61 Ca 0.05 -0.28 -0.03 0.00 -1.87 0.00 0.00 60.65 58.53 1v54 h LYS 61 Cb 0.56 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.72 1v54 h LYS 61 CO 0.04 1.00 0.01 0.77 -0.57 0.00 0.00 179.45 180.70 1v54 h SER 62 N 1.06 0.29 0.22 0.86 0.02 -0.61 -3.37 113.55 112.02 1v54 h SER 62 Ca 0.21 -0.29 -0.35 0.00 -0.84 0.00 0.00 61.79 60.52 1v54 h SER 62 Cb 0.40 -0.08 -0.01 0.00 0.14 0.00 0.00 62.40 62.86 1v54 h SER 62 CO 0.01 0.52 -1.82 -0.07 -1.14 0.00 0.00 176.83 174.33 1v54 h LEU 63 N 0.06 0.47 -9.50 5.07 3.38 -1.16 -3.48 115.31 110.14 1v54 h LEU 63 Ca 0.05 -0.83 -0.53 0.00 0.09 0.00 0.00 57.88 56.66 1v54 h LEU 63 Cb 0.36 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.95 1v54 h LEU 63 CO 0.01 1.72 0.44 0.00 0.09 0.00 0.00 178.44 180.70 1v54 n PRO 65 N 3.43 2.61 -0.35 0.00 -0.02 -1.26 -4.84 135.00 134.57 1v54 n PRO 65 Ca 0.06 0.92 0.11 0.00 -2.02 0.00 0.00 63.50 62.56 1v54 n PRO 65 Cb 0.48 -2.63 0.29 0.00 -0.02 0.00 0.00 33.50 31.62 1v54 n PRO 65 CO 0.00 0.00 0.00 0.82 1.98 0.00 0.00 175.50 178.30 1v54 h ILE 66 N 2.93 0.79 0.00 4.25 2.04 -1.94 -1.73 117.51 123.86 1v54 h ILE 66 Ca -0.50 -0.29 -0.06 0.00 1.00 0.00 0.00 64.86 65.01 1v54 h ILE 66 Cb 1.25 -0.13 -0.01 0.00 -0.74 0.00 0.00 36.82 37.19 1v54 h ILE 66 CO 0.65 0.16 -0.30 0.77 0.00 0.00 0.00 178.15 179.43 1v54 h SER 67 N 0.85 0.00 0.16 1.72 4.64 -1.98 0.02 113.55 118.96 1v54 h SER 67 Ca 0.54 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.85 1v54 h SER 67 Cb 0.74 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.83 1v54 h SER 67 CO -0.33 0.30 -0.08 -0.50 -0.87 0.00 0.00 176.83 175.35 1v54 h TRP 68 N 0.00 -0.20 -0.59 4.77 4.06 -1.68 -0.74 115.95 121.56 1v54 h TRP 68 Ca -0.00 -0.00 0.03 0.00 2.06 0.00 0.00 58.89 60.97 1v54 h TRP 68 Cb 0.58 0.07 -0.04 0.00 -1.00 0.00 0.00 29.16 28.76 1v54 h TRP 68 CO 0.00 0.22 0.35 0.28 -3.56 0.00 0.00 178.44 175.73 1v54 h VAL 69 N -0.72 1.04 -0.68 1.49 2.07 -1.32 0.05 116.25 118.19 1v54 h VAL 69 Ca -0.02 -0.24 -0.02 0.00 0.82 0.00 0.00 66.70 67.24 1v54 h VAL 69 Cb 0.51 0.30 -0.03 0.00 -1.52 0.00 0.00 31.29 30.55 1v54 h VAL 69 CO 0.04 0.13 0.33 -1.28 0.02 0.00 0.00 177.57 176.80 1v54 h SER 70 N 0.69 0.89 -0.37 0.57 0.87 -1.00 -0.03 113.55 115.17 1v54 h SER 70 Ca 0.24 -0.13 -0.07 0.00 -1.23 0.00 0.00 61.79 60.60 1v54 h SER 70 Cb 0.05 -0.23 -0.01 0.00 -0.44 0.00 0.00 62.40 61.77 1v54 h SER 70 CO -0.12 0.77 -0.04 0.74 -0.53 0.00 0.00 176.83 177.65 1v54 h THR 71 N 0.94 1.27 -0.62 2.23 2.02 -0.66 -1.79 112.91 116.29 1v54 h THR 71 Ca 0.23 -1.07 -0.04 0.00 0.77 0.00 0.00 66.41 66.30 1v54 h THR 71 Cb 0.12 1.21 -0.03 0.00 -1.74 0.00 0.00 68.15 67.71 1v54 h THR 71 CO -0.03 0.36 0.24 -0.50 0.37 0.00 0.00 175.52 175.95 1v54 h TRP 72 N 0.50 0.96 -0.36 3.16 6.55 -0.80 -1.32 115.95 124.64 1v54 h TRP 72 Ca 0.10 -0.08 -0.02 0.00 0.95 0.00 0.00 58.89 59.84 1v54 h TRP 72 Cb 0.53 -0.29 -0.02 0.00 -0.86 0.00 0.00 29.16 28.53 1v54 h TRP 72 CO 0.04 0.77 0.15 -0.44 -1.05 0.00 0.00 178.44 177.91 1v54 h ASP 73 N 0.88 0.49 -0.86 -3.49 3.45 -0.95 0.53 116.42 116.47 1v54 h ASP 73 Ca 0.21 -0.16 0.01 0.00 0.43 0.00 0.00 57.03 57.52 1v54 h ASP 73 Cb 0.22 -0.13 -0.04 0.00 -0.56 0.00 0.00 39.33 38.82 1v54 h ASP 73 CO -0.01 0.52 0.57 0.44 -1.57 0.00 0.00 179.24 179.19 1v54 h ASP 74 N 0.44 0.98 0.15 6.45 5.19 -1.12 -1.89 116.42 126.61 1v54 h ASP 74 Ca 0.12 -0.02 -0.21 0.00 -0.62 0.00 0.00 57.03 56.30 1v54 h ASP 74 Cb 0.18 -0.24 0.00 0.00 0.18 0.00 0.00 39.33 39.45 1v54 h ASP 74 CO -0.01 0.70 -0.82 0.03 -3.12 0.00 0.00 179.24 176.02 1v54 h ARG 75 N 1.15 0.53 -0.48 3.56 3.08 -0.85 -1.02 114.38 120.35 1v54 h ARG 75 Ca 0.32 -0.47 -0.05 0.00 0.07 0.00 0.00 59.98 59.85 1v54 h ARG 75 Cb -0.11 0.11 -0.02 0.00 0.08 0.00 0.00 29.97 30.03 1v54 h ARG 75 CO -0.07 1.10 0.08 0.00 -1.07 0.00 0.00 179.97 180.01 1v54 h ARG 76 N 0.34 0.74 -0.25 0.04 3.08 -0.62 0.14 114.38 117.85 1v54 h ARG 76 Ca -0.06 -0.15 -0.18 0.00 0.07 0.00 0.00 59.98 59.66 1v54 h ARG 76 Cb 1.43 -0.11 -0.00 0.00 0.08 0.00 0.00 29.97 31.37 1v54 h ARG 76 CO 0.15 0.69 -0.54 0.00 -1.07 0.00 0.00 179.97 179.20 1v54 h ALA 77 N 1.38 0.56 0.00 0.04 0.00 -1.26 -2.97 119.26 117.01 1v54 h ALA 77 Ca 0.15 -0.51 -0.04 0.00 0.00 0.00 0.00 54.91 54.52 1v54 h ALA 77 Cb 0.31 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 1v54 h ALA 77 CO 0.00 0.68 -0.17 1.49 0.00 0.00 0.00 179.25 181.25 1v54 h GLU 78 N 0.58 0.00 0.00 0.00 4.81 -0.81 -3.47 114.58 115.69 1v54 h GLU 78 Ca 0.01 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.24 1v54 h GLU 78 Cb 1.13 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.51 1v54 h GLU 78 CO 0.11 0.17 0.00 0.41 -0.73 0.00 0.00 179.01 178.98 1v54 n GLY 79 N 0.38 0.80 0.85 1.92 0.00 0.25 -4.97 105.19 104.43 1v54 n GLY 79 Ca 0.01 -0.14 0.07 0.00 0.00 0.00 0.00 46.02 45.96 1v54 n GLY 79 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1v54 n THR 80 N -2.37 1.73 -2.14 2.61 -2.24 0.09 -4.97 114.28 107.00 1v54 n THR 80 Ca 0.00 -1.46 -0.42 0.00 -2.27 0.00 0.00 64.05 59.90 1v54 n THR 80 Cb 0.00 0.08 -0.03 0.00 -2.10 0.00 0.00 70.33 68.29 1v54 n THR 80 CO 0.00 0.00 0.00 0.12 -0.57 0.00 0.00 175.07 174.62 1v54 s PHE 81 N -2.00 2.30 -0.03 4.78 5.36 -1.04 -4.89 117.98 122.47 1v54 s PHE 81 Ca 0.35 0.47 0.31 0.00 -0.96 0.00 0.00 56.93 57.10 1v54 s PHE 81 Cb 0.25 -3.78 1.10 0.00 -0.34 0.00 0.00 43.02 40.24 1v54 s PHE 81 CO 0.13 -3.15 1.89 -1.00 -1.46 0.00 0.00 175.22 171.62 1v54 h PRO 82 N 8.99 0.00 -7.37 10.12 0.13 -1.93 -3.46 132.00 138.48 1v54 h PRO 82 Ca -0.36 0.00 -0.51 0.00 -0.87 0.00 0.00 66.00 64.27 1v54 h PRO 82 Cb 1.16 0.00 0.08 0.00 0.13 0.00 0.00 31.00 32.37 1v54 h PRO 82 CO 0.95 0.01 0.39 0.20 -0.23 0.00 0.00 178.00 179.33 1v54 s GLY 83 N -4.19 1.66 -0.32 1.56 0.00 -1.26 -5.02 107.32 99.74 1v54 s GLY 83 Ca 0.03 -0.06 -0.21 0.00 0.00 0.00 0.00 44.72 44.48 1v54 s GLY 83 CO 0.58 0.26 0.65 0.54 0.00 0.00 0.00 173.10 175.12 1v54 s LYS 84 N -5.14 3.83 0.00 2.90 1.02 -1.26 -5.17 119.74 115.92 1v54 s LYS 84 Ca 0.57 0.24 0.00 0.00 0.02 0.00 0.00 55.97 56.80 1v54 s LYS 84 Cb -0.13 -3.76 0.00 0.00 -0.52 0.00 0.00 37.83 33.43 1v54 s LYS 84 CO 0.54 -0.64 0.26 -0.89 -0.92 0.00 0.00 175.35 173.71