#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ucv h SER 2 N 0.00 0.02 0.49 1.61 0.87 -2.03 -3.42 113.55 111.09 1ucv h SER 2 Ca 0.00 -0.53 -0.02 0.00 -1.23 0.00 0.00 61.79 60.01 1ucv h SER 2 Cb 0.00 -0.01 0.00 0.00 -0.44 0.00 0.00 62.40 61.96 1ucv h SER 2 CO 0.00 1.50 -0.24 -1.28 -0.53 0.00 0.00 176.83 176.29 1ucv h SER 3 N -0.96 -0.56 0.00 6.23 0.87 -2.01 -3.48 113.55 113.64 1ucv h SER 3 Ca -0.35 -0.06 0.00 0.00 -1.23 0.00 0.00 61.79 60.15 1ucv h SER 3 Cb 1.33 0.14 0.00 0.00 -0.44 0.00 0.00 62.40 63.44 1ucv h SER 3 CO -0.20 -0.16 0.00 0.61 -0.53 0.00 0.00 176.83 176.55 1ucv n GLY 4 N -0.21 0.91 3.80 5.77 0.00 -1.26 -5.02 105.19 109.18 1ucv n GLY 4 Ca -0.10 0.58 -0.38 0.00 0.00 0.00 0.00 46.02 46.13 1ucv n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1ucv s SER 5 N 0.00 6.72 0.02 1.61 0.15 -1.26 -4.82 113.70 116.12 1ucv s SER 5 Ca 0.00 0.85 0.02 0.00 0.70 0.00 0.00 55.95 57.52 1ucv s SER 5 Cb 0.00 -2.24 -0.04 0.00 -1.71 0.00 0.00 66.02 62.03 1ucv s SER 5 CO 0.00 0.24 0.02 -0.94 1.20 0.00 0.00 173.24 173.76 1ucv s SER 6 N -0.56 5.22 0.00 5.45 1.04 -1.26 -4.44 113.70 119.16 1ucv s SER 6 Ca 0.23 -0.01 0.00 0.00 0.48 0.00 0.00 55.95 56.64 1ucv s SER 6 Cb -0.16 -1.37 0.00 0.00 0.10 0.00 0.00 66.02 64.59 1ucv s SER 6 CO 0.11 0.25 0.00 0.61 0.98 0.00 0.00 173.24 175.19 1ucv n GLY 7 N 1.15 -0.09 3.73 7.32 0.00 -1.26 -5.02 105.19 111.02 1ucv n GLY 7 Ca -0.13 -0.02 -0.25 0.00 0.00 0.00 0.00 46.02 45.61 1ucv n GLY 7 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 1ucv n LEU 8 N -1.98 0.00 -4.77 0.99 -0.00 -1.26 -5.10 117.00 104.87 1ucv n LEU 8 Ca 0.00 -2.80 -0.31 0.00 -0.00 0.00 0.00 56.01 52.90 1ucv n LEU 8 Cb 0.00 -0.05 -0.07 0.00 -0.00 0.00 0.00 43.42 43.31 1ucv n LEU 8 CO 0.00 -0.58 -0.26 0.28 -0.00 0.00 0.00 177.39 176.82 1ucv s THR 9 N -2.67 4.57 0.61 1.47 -1.32 -1.26 -4.04 115.64 113.00 1ucv s THR 9 Ca 0.31 -0.69 0.26 0.00 -1.21 0.00 0.00 61.69 60.37 1ucv s THR 9 Cb -0.02 -3.17 0.39 0.00 -1.51 0.00 0.00 72.50 68.18 1ucv s THR 9 CO 0.20 0.18 1.29 0.52 -2.21 0.00 0.00 174.62 174.60 1ucv n VAL 10 N 0.63 0.00 -0.03 5.08 0.31 -1.26 0.37 118.33 123.43 1ucv n VAL 10 Ca -0.10 1.26 -0.11 0.00 -0.01 0.00 0.00 64.34 65.38 1ucv n VAL 10 Cb 0.52 -2.26 -0.09 0.00 -0.91 0.00 0.00 33.84 31.10 1ucv n VAL 10 CO 0.00 0.00 0.00 1.23 -1.32 0.00 0.00 176.83 176.74 1ucv h GLY 11 N 0.00 -0.06 -0.20 2.92 0.00 -1.92 -2.73 103.07 101.08 1ucv h GLY 11 Ca 0.49 0.02 0.05 0.00 0.00 0.00 0.00 47.33 47.89 1ucv h GLY 11 CO -0.01 -0.02 -0.47 -0.55 0.00 0.00 0.00 176.54 175.49 1ucv h ASP 12 N -0.89 -1.54 0.47 0.19 5.19 -0.47 0.38 116.42 119.75 1ucv h ASP 12 Ca -0.01 0.21 -0.02 0.00 -0.62 0.00 0.00 57.03 56.59 1ucv h ASP 12 Cb 0.67 0.64 -0.01 0.00 0.18 0.00 0.00 39.33 40.81 1ucv h ASP 12 CO 0.01 -0.42 -0.33 -0.25 -3.12 0.00 0.00 179.24 175.13 1ucv h TRP 13 N -0.44 -0.90 -0.97 4.55 7.01 -1.67 -2.60 115.95 120.93 1ucv h TRP 13 Ca 0.09 -0.00 0.30 0.00 2.11 0.00 0.00 58.89 61.38 1ucv h TRP 13 Cb 0.62 0.33 -0.15 0.00 -2.10 0.00 0.00 29.16 27.86 1ucv h TRP 13 CO -0.60 -0.48 0.47 -0.07 -2.79 0.00 0.00 178.44 174.98 1ucv h LEU 14 N -0.76 0.37 -1.01 0.65 3.38 -1.27 0.61 115.31 117.28 1ucv h LEU 14 Ca -0.06 0.19 0.14 0.00 0.09 0.00 0.00 57.88 58.24 1ucv h LEU 14 Cb 0.62 0.18 -0.09 0.00 0.09 0.00 0.00 40.66 41.46 1ucv h LEU 14 CO 0.03 -0.15 0.63 -0.78 0.09 0.00 0.00 178.44 178.27 1ucv h ASP 15 N 0.29 0.89 -0.93 -0.43 3.58 0.14 0.25 116.42 120.21 1ucv h ASP 15 Ca 0.69 0.06 0.17 0.00 0.42 0.00 0.00 57.03 58.36 1ucv h ASP 15 Cb 1.53 -0.11 -0.10 0.00 1.72 0.00 0.00 39.33 42.36 1ucv h ASP 15 CO -0.63 0.43 0.53 0.28 -2.88 0.00 0.00 179.24 176.98 1ucv h SER 16 N 0.93 0.67 -0.64 2.28 0.02 0.45 0.31 113.55 117.58 1ucv h SER 16 Ca 0.52 0.09 0.00 0.00 -0.84 0.00 0.00 61.79 61.56 1ucv h SER 16 Cb 0.61 -0.02 0.00 0.00 0.14 0.00 0.00 62.40 63.12 1ucv h SER 16 CO -0.30 0.26 0.00 2.30 -1.14 0.00 0.00 176.83 177.96 1ucv n ILE 17 N -4.81 1.34 -3.38 3.27 -5.35 -0.30 -4.93 119.36 105.22 1ucv n ILE 17 Ca 0.20 -1.01 -0.23 0.00 -0.27 0.00 0.00 62.75 61.45 1ucv n ILE 17 Cb 0.49 0.25 0.06 0.00 -1.74 0.00 0.00 39.64 38.71 1ucv n ILE 17 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33 1ucv n ARG 18 N 1.24 -6.77 0.00 6.28 1.74 0.11 -4.88 116.66 114.38 1ucv n ARG 18 Ca 0.23 0.83 0.01 0.00 -0.77 0.00 0.00 57.85 58.15 1ucv n ARG 18 Cb 0.72 -5.75 0.00 0.00 -1.02 0.00 0.00 32.46 26.42 1ucv n ARG 18 CO 0.00 0.00 0.00 -1.33 -1.52 0.00 0.00 177.63 174.78 1ucv n MET 19 N -4.56 0.48 0.31 5.56 2.81 0.74 -4.67 117.12 117.79 1ucv n MET 19 Ca -0.03 -0.49 0.13 0.00 -1.81 0.00 0.00 57.70 55.50 1ucv n MET 19 Cb 0.58 -0.95 0.64 0.00 -0.71 0.00 0.00 33.22 32.77 1ucv n MET 19 CO 0.00 0.00 0.00 0.78 1.51 0.00 0.00 175.97 178.26 1ucv h GLY 20 N 0.31 0.00 1.81 3.03 0.00 -1.77 0.19 103.07 106.63 1ucv h GLY 20 Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 47.33 47.35 1ucv h GLY 20 CO 0.00 0.00 0.08 0.07 0.00 0.00 0.00 176.54 176.69 1ucv h ARG 21 N 0.00 0.00 0.00 4.80 0.11 -1.91 0.17 114.38 117.55 1ucv h ARG 21 Ca 0.02 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.10 1ucv h ARG 21 Cb 1.01 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.09 1ucv h ARG 21 CO -0.00 0.00 -0.64 0.66 0.10 0.00 0.00 179.97 180.09 1ucv n TYR 22 N -3.85 0.14 -0.21 4.08 4.01 0.67 -4.46 117.16 117.54 1ucv n TYR 22 Ca -0.01 0.04 -0.05 0.00 -0.16 0.00 0.00 57.90 57.71 1ucv n TYR 22 Cb 0.17 -0.34 -0.05 0.00 -0.31 0.00 0.00 39.34 38.82 1ucv n TYR 22 CO 0.00 0.00 0.00 -2.13 -0.46 0.00 0.00 176.86 174.27 1ucv n ARG 23 N -1.68 -0.22 -0.28 -0.72 0.63 0.58 0.17 116.66 115.14 1ucv n ARG 23 Ca 0.04 0.99 0.24 0.00 -0.92 0.00 0.00 57.85 58.20 1ucv n ARG 23 Cb 0.37 -1.46 0.44 0.00 0.45 0.00 0.00 32.46 32.26 1ucv n ARG 23 CO 0.00 0.00 0.00 -0.40 -2.51 0.00 0.00 177.63 174.72 1ucv n ASP 24 N -4.21 0.20 0.31 6.15 5.68 -1.26 0.34 116.55 123.76 1ucv n ASP 24 Ca 0.01 1.44 -0.17 0.00 -0.50 0.00 0.00 54.79 55.56 1ucv n ASP 24 Cb 0.13 -0.66 -0.09 0.00 -1.14 0.00 0.00 41.12 39.37 1ucv n ASP 24 CO 0.00 0.00 0.00 0.45 -1.33 0.00 0.00 177.20 176.32 1ucv h HIS 25 N 0.00 -1.09 -0.74 2.11 3.86 0.14 -2.74 115.15 116.69 1ucv h HIS 25 Ca 0.68 -0.00 0.15 0.00 -1.16 0.00 0.00 60.37 60.04 1ucv h HIS 25 Cb 1.72 0.41 -0.14 0.00 1.06 0.00 0.00 27.41 30.45 1ucv h HIS 25 CO -0.12 -0.59 -0.17 0.74 0.86 0.00 0.00 177.93 178.65 1ucv h PHE 26 N -0.92 -0.37 -0.73 2.45 -1.00 -0.00 0.77 116.94 117.15 1ucv h PHE 26 Ca -0.06 0.07 0.19 0.00 2.81 0.00 0.00 57.97 60.97 1ucv h PHE 26 Cb 0.77 0.28 -0.04 0.00 3.61 0.00 0.00 35.95 40.57 1ucv h PHE 26 CO -0.16 -0.31 0.51 0.00 -1.61 0.00 0.00 178.31 176.74 1ucv h ALA 27 N 1.74 2.45 0.10 2.45 0.00 -0.71 0.27 119.26 125.55 1ucv h ALA 27 Ca 0.36 -0.01 -0.27 0.00 0.00 0.00 0.00 54.91 54.99 1ucv h ALA 27 Cb 0.55 0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.37 1ucv h ALA 27 CO -0.75 -0.66 -1.17 0.00 0.00 0.00 0.00 179.25 176.66 1ucv h ALA 28 N 1.65 0.13 0.00 0.00 0.00 0.79 -3.18 119.26 118.65 1ucv h ALA 28 Ca 0.36 -0.80 0.00 0.00 0.00 0.00 0.00 54.91 54.46 1ucv h ALA 28 Cb 1.17 0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.00 1ucv h ALA 28 CO -0.06 0.84 0.00 0.41 0.00 0.00 0.00 179.25 180.44 1ucv n GLY 29 N 1.33 -0.77 0.72 0.00 0.00 0.04 -4.79 105.19 101.72 1ucv n GLY 29 Ca -0.10 -0.08 0.00 0.00 0.00 0.00 0.00 46.02 45.85 1ucv n GLY 29 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ucv n GLY 30 N 0.41 0.78 3.01 -0.02 0.00 -0.95 -5.06 105.19 103.36 1ucv n GLY 30 Ca 0.09 -0.39 -0.31 0.00 0.00 0.00 0.00 46.02 45.40 1ucv n GLY 30 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1ucv s TYR 31 N -2.00 3.09 -0.30 1.61 1.51 0.72 -4.92 117.35 117.06 1ucv s TYR 31 Ca 0.00 -2.31 0.07 0.00 -1.01 0.00 0.00 57.07 53.82 1ucv s TYR 31 Cb 0.00 -2.06 -0.09 0.00 -0.11 0.00 0.00 41.96 39.70 1ucv s TYR 31 CO 0.00 -0.87 0.30 0.45 -1.11 0.00 0.00 175.55 174.32 1ucv n SER 32 N 4.47 0.77 -4.04 2.29 2.88 -1.26 -0.93 113.62 117.80 1ucv n SER 32 Ca -0.09 -0.58 -0.21 0.00 -1.33 0.00 0.00 58.87 56.66 1ucv n SER 32 Cb 0.43 1.05 -0.09 0.00 -0.75 0.00 0.00 64.21 64.85 1ucv n SER 32 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1ucv s SER 33 N -1.88 2.05 0.05 -3.46 0.01 -1.26 -4.06 113.70 105.15 1ucv s SER 33 Ca 0.02 -1.59 -0.08 0.00 1.31 0.00 0.00 55.95 55.61 1ucv s SER 33 Cb 0.06 0.39 -0.31 0.00 0.21 0.00 0.00 66.02 66.37 1ucv s SER 33 CO 0.31 -0.88 1.04 -0.07 0.41 0.00 0.00 173.24 174.04 1ucv h LEU 34 N 2.06 0.55 -1.44 2.44 -0.00 -1.91 -3.18 115.31 113.83 1ucv h LEU 34 Ca -0.34 -0.62 0.47 0.00 -0.00 0.00 0.00 57.88 57.39 1ucv h LEU 34 Cb 1.26 -0.18 -0.13 0.00 -0.00 0.00 0.00 40.66 41.60 1ucv h LEU 34 CO 0.54 1.49 0.91 1.23 -0.00 0.00 0.00 178.44 182.61 1ucv h GLY 35 N 1.16 1.27 0.60 0.83 0.00 -1.88 0.58 103.07 105.63 1ucv h GLY 35 Ca -0.20 -0.09 -0.34 0.00 0.00 0.00 0.00 47.33 46.70 1ucv h GLY 35 CO 0.22 -0.43 -2.00 1.15 0.00 0.00 0.00 176.54 175.48 1ucv n MET 36 N -4.67 0.69 -0.09 4.80 -0.00 -1.25 -4.18 117.12 112.42 1ucv n MET 36 Ca 0.40 0.22 0.04 0.00 -0.00 0.00 0.00 57.70 58.36 1ucv n MET 36 Cb 1.55 -1.69 0.37 0.00 -0.00 0.00 0.00 33.22 33.45 1ucv n MET 36 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 175.97 176.25 1ucv h VAL 37 N 0.03 1.11 0.00 3.17 2.07 0.04 -0.52 116.25 122.14 1ucv h VAL 37 Ca -0.41 -0.24 -0.03 0.00 0.82 0.00 0.00 66.70 66.85 1ucv h VAL 37 Cb 2.04 0.35 -0.00 0.00 -1.52 0.00 0.00 31.29 32.15 1ucv h VAL 37 CO 0.06 0.13 -0.13 -0.07 0.02 0.00 0.00 177.57 177.57 1ucv h LEU 38 N 0.70 0.00 -3.51 2.57 -0.00 -0.95 -1.89 115.31 112.22 1ucv h LEU 38 Ca 0.21 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 58.09 1ucv h LEU 38 Cb -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.66 1ucv h LEU 38 CO -0.05 0.13 0.00 -2.11 -0.00 0.00 0.00 178.44 176.41 1ucv n ARG 39 N -3.55 4.56 -2.78 1.13 1.85 -0.23 -4.82 116.66 112.83 1ucv n ARG 39 Ca -0.01 -3.11 -0.21 0.00 -1.00 0.00 0.00 57.85 53.51 1ucv n ARG 39 Cb 0.27 -2.20 0.06 0.00 -1.05 0.00 0.00 32.46 29.55 1ucv n ARG 39 CO 0.00 0.00 0.00 -1.64 -0.01 0.00 0.00 177.63 175.98 1ucv s MET 40 N -2.77 2.27 0.25 2.89 -1.94 -0.71 -5.07 119.30 114.21 1ucv s MET 40 Ca 0.53 -1.16 -0.22 0.00 -1.71 0.00 0.00 55.69 53.13 1ucv s MET 40 Cb 0.40 -2.52 0.03 0.00 2.01 0.00 0.00 34.83 34.75 1ucv s MET 40 CO 0.15 -0.90 0.76 0.54 -0.01 0.00 0.00 175.02 175.56 1ucv s ASN 41 N -4.56 -0.26 0.27 3.03 4.22 -1.26 -4.99 114.94 111.39 1ucv s ASN 41 Ca 0.61 -0.55 0.04 0.00 -2.14 0.00 0.00 52.86 50.82 1ucv s ASN 41 Cb -0.08 0.68 0.72 0.00 1.28 0.00 0.00 41.25 43.85 1ucv s ASN 41 CO 0.39 -1.26 1.32 0.00 -2.04 0.00 0.00 177.10 175.51 1ucv n ALA 42 N -0.46 0.50 -0.27 3.54 0.00 -1.26 0.20 120.51 122.76 1ucv n ALA 42 Ca -0.05 0.89 0.02 0.00 0.00 0.00 0.00 53.44 54.31 1ucv n ALA 42 Cb 0.60 -0.69 0.15 0.00 0.00 0.00 0.00 19.45 19.51 1ucv n ALA 42 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 1ucv h GLN 43 N 0.00 0.68 0.01 0.00 1.08 -1.99 0.30 115.11 115.19 1ucv h GLN 43 Ca 0.54 -0.04 -0.00 0.00 -1.45 0.00 0.00 58.65 57.70 1ucv h GLN 43 Cb 1.18 -0.15 0.00 0.00 -0.05 0.00 0.00 27.48 28.46 1ucv h GLN 43 CO -0.77 0.45 -0.01 -0.44 -0.95 0.00 0.00 178.83 177.11 1ucv h ASP 44 N 0.70 -0.01 -0.09 1.46 5.19 0.18 -3.24 116.42 120.61 1ucv h ASP 44 Ca 0.38 -0.79 0.04 0.00 -0.62 0.00 0.00 57.03 56.04 1ucv h ASP 44 Cb 0.37 0.00 -0.06 0.00 0.18 0.00 0.00 39.33 39.83 1ucv h ASP 44 CO -0.26 0.83 -0.28 0.58 -3.12 0.00 0.00 179.24 176.99 1ucv h VAL 45 N -0.91 0.35 -0.87 -1.35 2.07 -0.39 -1.56 116.25 113.59 1ucv h VAL 45 Ca -0.00 0.00 0.22 0.00 0.82 0.00 0.00 66.70 67.74 1ucv h VAL 45 Cb 0.80 0.35 -0.13 0.00 -1.52 0.00 0.00 31.29 30.80 1ucv h VAL 45 CO 0.00 0.00 0.30 -0.09 0.02 0.00 0.00 177.57 177.80 1ucv h ARG 46 N -0.38 0.29 -0.77 1.57 1.12 -0.54 0.45 114.38 116.12 1ucv h ARG 46 Ca 0.09 -0.02 0.08 0.00 -1.11 0.00 0.00 59.98 59.02 1ucv h ARG 46 Cb 0.51 -0.07 -0.05 0.00 -0.01 0.00 0.00 29.97 30.35 1ucv h ARG 46 CO -0.30 0.20 0.51 0.00 -3.11 0.00 0.00 179.97 177.26 1ucv h ALA 47 N 1.72 1.70 0.00 2.80 0.00 -1.31 0.45 119.26 124.62 1ucv h ALA 47 Ca 0.54 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.43 1ucv h ALA 47 Cb 1.04 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.63 1ucv h ALA 47 CO -0.58 0.17 -0.01 -0.07 0.00 0.00 0.00 179.25 178.76 1ucv h LEU 48 N 0.78 0.00 0.00 0.00 3.38 0.17 -3.46 115.31 116.18 1ucv h LEU 48 Ca 0.34 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.31 1ucv h LEU 48 Cb 0.32 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.07 1ucv h LEU 48 CO -0.12 0.01 0.00 0.61 0.09 0.00 0.00 178.44 179.03 1ucv n GLY 49 N -1.15 0.94 3.56 0.83 0.00 0.15 -4.79 105.19 104.74 1ucv n GLY 49 Ca -0.03 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.60 1ucv n GLY 49 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ucv s ILE 50 N -1.31 3.41 -0.02 -0.61 1.09 -1.25 -4.70 121.20 117.81 1ucv s ILE 50 Ca 0.00 0.30 0.02 0.00 -1.10 0.00 0.00 60.65 59.87 1ucv s ILE 50 Cb 0.00 -3.88 -0.03 0.00 -1.06 0.00 0.00 42.46 37.49 1ucv s ILE 50 CO 0.00 -0.79 0.02 0.35 -0.10 0.00 0.00 174.94 174.42 1ucv n THR 51 N 7.26 0.10 -1.50 2.92 -2.24 -1.26 -4.05 114.28 115.51 1ucv n THR 51 Ca 0.21 -0.08 -0.52 0.00 -2.27 0.00 0.00 64.05 61.39 1ucv n THR 51 Cb 0.51 -0.60 -0.07 0.00 -2.10 0.00 0.00 70.33 68.07 1ucv n THR 51 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1ucv n LEU 52 N -1.95 2.19 -0.31 3.22 4.32 -1.26 -4.62 117.00 118.59 1ucv n LEU 52 Ca -0.03 0.59 0.16 0.00 -0.02 0.00 0.00 56.01 56.71 1ucv n LEU 52 Cb 0.44 -1.23 0.33 0.00 -1.62 0.00 0.00 43.42 41.34 1ucv n LEU 52 CO 0.04 -0.63 0.92 0.24 -1.22 0.00 0.00 177.39 176.74 1ucv h MET 53 N 11.05 0.11 -0.84 3.23 2.86 -1.97 0.97 114.93 130.35 1ucv h MET 53 Ca -0.31 -0.01 0.18 0.00 -2.06 0.00 0.00 59.70 57.50 1ucv h MET 53 Cb 1.32 -0.03 -0.06 0.00 0.06 0.00 0.00 31.60 32.90 1ucv h MET 53 CO 1.01 0.08 0.56 0.78 1.06 0.00 0.00 176.91 180.39 1ucv h GLY 54 N 0.12 0.80 0.00 8.32 0.00 -2.01 -1.94 103.07 108.35 1ucv h GLY 54 Ca 0.61 -0.19 -0.06 0.00 0.00 0.00 0.00 47.33 47.69 1ucv h GLY 54 CO -0.76 0.03 -1.04 1.42 0.00 0.00 0.00 176.54 176.19 1ucv n HIS 55 N -4.49 0.30 -0.27 5.60 -0.00 0.28 -4.19 115.22 112.44 1ucv n HIS 55 Ca 0.17 0.13 0.25 0.00 -0.00 0.00 0.00 57.72 58.27 1ucv n HIS 55 Cb 0.62 -0.65 0.46 0.00 -0.00 0.00 0.00 29.99 30.42 1ucv n HIS 55 CO 0.00 0.00 0.00 1.04 -0.00 0.00 0.00 176.34 177.38 1ucv n GLN 56 N -4.48 -0.05 -0.19 -0.41 6.02 0.19 0.23 117.38 118.68 1ucv n GLN 56 Ca -0.17 1.16 -0.08 0.00 -0.01 0.00 0.00 57.00 57.91 1ucv n GLN 56 Cb 0.50 -2.06 0.02 0.00 1.02 0.00 0.00 30.24 29.72 1ucv n GLN 56 CO 0.00 0.00 0.00 0.87 -1.01 0.00 0.00 177.06 176.92 1ucv h LYS 57 N 0.00 0.80 0.49 -1.09 1.79 -1.55 -1.58 116.57 115.43 1ucv h LYS 57 Ca 0.68 -0.13 -0.02 0.00 -2.18 0.00 0.00 60.65 59.00 1ucv h LYS 57 Cb 1.77 -0.14 0.00 0.00 -1.58 0.00 0.00 32.23 32.28 1ucv h LYS 57 CO -0.66 0.68 -0.26 0.87 -1.08 0.00 0.00 179.45 179.00 1ucv h LYS 58 N 0.74 -0.66 -0.04 3.15 6.56 0.28 0.58 116.57 127.19 1ucv h LYS 58 Ca 0.19 0.04 0.01 0.00 -1.06 0.00 0.00 60.65 59.84 1ucv h LYS 58 Cb 0.15 0.15 -0.03 0.00 -0.57 0.00 0.00 32.23 31.93 1ucv h LYS 58 CO -0.02 -0.44 -0.30 0.82 -2.06 0.00 0.00 179.45 177.45 1ucv h ILE 59 N -0.68 0.00 0.11 1.86 2.04 -1.48 0.94 117.51 120.30 1ucv h ILE 59 Ca -0.07 0.00 0.02 0.00 1.00 0.00 0.00 64.86 65.81 1ucv h ILE 59 Cb 0.53 0.00 -0.05 0.00 -0.74 0.00 0.00 36.82 36.56 1ucv h ILE 59 CO 0.09 0.00 -0.44 -0.07 0.00 0.00 0.00 178.15 177.74 1ucv h LEU 60 N -0.35 -1.30 -2.05 1.44 3.38 -1.36 0.43 115.31 115.51 1ucv h LEU 60 Ca 0.01 0.14 0.10 0.00 0.09 0.00 0.00 57.88 58.23 1ucv h LEU 60 Cb 0.40 0.49 -0.01 0.00 0.09 0.00 0.00 40.66 41.62 1ucv h LEU 60 CO -0.22 -0.50 0.27 1.23 0.09 0.00 0.00 178.44 179.31 1ucv h GLY 61 N -0.66 0.00 2.00 0.83 0.00 0.40 0.19 103.07 105.83 1ucv h GLY 61 Ca 0.02 0.00 -0.14 0.00 0.00 0.00 0.00 47.33 47.21 1ucv h GLY 61 CO -0.26 0.00 -0.68 0.23 0.00 0.00 0.00 176.54 175.83 1ucv h SER 62 N 0.00 0.00 0.03 0.19 0.87 0.24 -3.23 113.55 111.66 1ucv h SER 62 Ca 0.17 0.00 -0.15 0.00 -1.23 0.00 0.00 61.79 60.58 1ucv h SER 62 Cb 0.71 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.66 1ucv h SER 62 CO -0.00 0.68 -0.77 0.40 -0.53 0.00 0.00 176.83 176.61 1ucv h ILE 63 N 0.00 1.33 -0.99 2.23 2.04 0.12 -2.85 117.51 119.38 1ucv h ILE 63 Ca -0.01 -2.32 0.29 0.00 1.00 0.00 0.00 64.86 63.82 1ucv h ILE 63 Cb 1.38 2.85 -0.04 0.00 -0.74 0.00 0.00 36.82 40.27 1ucv h ILE 63 CO 0.09 0.54 0.74 0.06 0.00 0.00 0.00 178.15 179.58 1ucv h GLN 64 N -0.81 0.00 0.00 2.37 -0.00 -0.86 0.38 115.11 116.19 1ucv h GLN 64 Ca -0.19 0.00 -0.29 0.00 -0.00 0.00 0.00 58.65 58.17 1ucv h GLN 64 Cb 1.31 0.00 -0.05 0.00 -0.00 0.00 0.00 27.48 28.74 1ucv h GLN 64 CO -0.05 0.00 -1.70 -2.37 -0.00 0.00 0.00 178.83 174.72 1ucv n THR 65 N -4.14 1.61 0.07 1.86 5.66 -1.22 -2.35 114.28 115.78 1ucv n THR 65 Ca 0.21 -0.80 -0.01 0.00 -3.05 0.00 0.00 64.05 60.40 1ucv n THR 65 Cb 1.08 -1.05 0.28 0.00 -1.55 0.00 0.00 70.33 69.09 1ucv n THR 65 CO 0.00 0.00 0.00 0.24 -3.05 0.00 0.00 175.07 172.26 1ucv h MET 66 N 0.00 0.33 0.02 1.09 2.86 -0.05 -3.08 114.93 116.10 1ucv h MET 66 Ca -0.28 -0.11 -0.32 0.00 -2.06 0.00 0.00 59.70 56.93 1ucv h MET 66 Cb 2.01 -0.03 -0.05 0.00 0.06 0.00 0.00 31.60 33.59 1ucv h MET 66 CO 0.08 0.56 -1.88 2.89 1.06 0.00 0.00 176.91 179.61 1ucv n ARG 67 N -4.15 0.66 -0.04 1.72 1.85 -0.37 -4.09 116.66 112.24 1ucv n ARG 67 Ca -0.01 0.24 0.22 0.00 -1.00 0.00 0.00 57.85 57.30 1ucv n ARG 67 Cb 0.37 -1.73 0.69 0.00 -1.05 0.00 0.00 32.46 30.74 1ucv n ARG 67 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1ucv h ALA 68 N 0.84 2.55 -0.03 2.89 0.00 -1.38 -0.50 119.26 123.64 1ucv h ALA 68 Ca -0.36 -0.02 -0.23 0.00 0.00 0.00 0.00 54.91 54.30 1ucv h ALA 68 Cb 2.05 0.04 0.02 0.00 0.00 0.00 0.00 17.79 19.90 1ucv h ALA 68 CO 0.07 -0.73 -0.88 -0.56 0.00 0.00 0.00 179.25 177.15 1ucv h GLN 69 N 0.02 0.64 -1.16 0.00 3.07 -1.69 -3.21 115.11 112.78 1ucv h GLN 69 Ca 0.29 -0.66 0.37 0.00 0.09 0.00 0.00 58.65 58.74 1ucv h GLN 69 Cb 1.14 0.18 -0.13 0.00 0.08 0.00 0.00 27.48 28.75 1ucv h GLN 69 CO -0.01 1.26 0.72 -0.07 0.09 0.00 0.00 178.83 180.82 1ucv h LEU 70 N 0.29 0.36 -6.25 0.06 3.38 -1.24 -3.34 115.31 108.57 1ucv h LEU 70 Ca -0.10 0.14 -0.14 0.00 0.09 0.00 0.00 57.88 57.87 1ucv h LEU 70 Cb 1.55 0.11 -0.27 0.00 0.09 0.00 0.00 40.66 42.14 1ucv h LEU 70 CO 0.18 -0.12 -0.50 0.28 0.09 0.00 0.00 178.44 178.36 1ucv s THR 71 N -5.44 -0.71 1.21 0.22 -1.32 -1.21 -5.07 115.64 103.32 1ucv s THR 71 Ca -0.09 -0.23 -0.18 0.00 -1.21 0.00 0.00 61.69 59.98 1ucv s THR 71 Cb 0.29 -0.99 0.29 0.00 -1.51 0.00 0.00 72.50 70.58 1ucv s THR 71 CO 0.81 -0.22 1.07 -0.94 -2.21 0.00 0.00 174.62 173.12 1ucv s SER 72 N 2.60 0.81 -0.30 8.08 1.04 -1.21 -4.84 113.70 119.89 1ucv s SER 72 Ca 0.10 0.81 -0.03 0.00 0.48 0.00 0.00 55.95 57.31 1ucv s SER 72 Cb -0.12 -1.18 0.17 0.00 0.10 0.00 0.00 66.02 64.99 1ucv s SER 72 CO -0.29 -4.21 0.60 -0.89 0.98 0.00 0.00 173.24 169.43 1ucv s THR 73 N -2.83 -0.97 -1.18 2.02 2.01 -1.26 -4.95 115.64 108.47 1ucv s THR 73 Ca 0.69 -0.00 -0.04 0.00 0.31 0.00 0.00 61.69 62.66 1ucv s THR 73 Cb -0.13 -0.99 0.00 0.00 0.01 0.00 0.00 72.50 71.40 1ucv s THR 73 CO 0.57 -0.01 1.01 1.67 -0.69 0.00 0.00 174.62 177.17 1ucv n GLN 74 N 5.43 -6.73 -1.67 4.92 7.27 -1.26 -4.89 117.38 120.45 1ucv n GLN 74 Ca -0.03 0.78 0.00 0.00 0.07 0.00 0.00 57.00 57.82 1ucv n GLN 74 Cb 0.51 -5.64 0.00 0.00 2.41 0.00 0.00 30.24 27.51 1ucv n GLN 74 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1ucv n GLY 75 N -1.47 -0.54 3.91 1.69 0.00 -1.26 -5.13 105.19 102.39 1ucv n GLY 75 Ca -0.15 -1.68 -0.27 0.00 0.00 0.00 0.00 46.02 43.92 1ucv n GLY 75 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1ucv s SER 76 N -0.58 6.28 0.06 1.61 0.15 -1.26 -4.81 113.70 115.14 1ucv s SER 76 Ca 0.00 0.83 0.00 0.00 0.70 0.00 0.00 55.95 57.48 1ucv s SER 76 Cb 0.00 -2.20 0.00 0.00 -1.71 0.00 0.00 66.02 62.11 1ucv s SER 76 CO 0.00 -0.51 0.00 0.61 1.20 0.00 0.00 173.24 174.54 1ucv n GLY 77 N -2.13 -0.15 0.40 9.45 0.00 -1.26 -4.86 105.19 106.65 1ucv n GLY 77 Ca -0.01 0.00 0.22 0.00 0.00 0.00 0.00 46.02 46.23 1ucv n GLY 77 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1ucv h PRO 78 N 0.00 0.00 -6.38 1.61 0.11 -1.88 -3.42 132.00 122.04 1ucv h PRO 78 Ca 0.00 0.00 -0.60 0.00 0.11 0.00 0.00 66.00 65.51 1ucv h PRO 78 Cb 0.00 0.00 0.04 0.00 0.11 0.00 0.00 31.00 31.15 1ucv h PRO 78 CO 0.00 0.00 0.95 -1.13 -0.21 0.00 0.00 178.00 177.61 1ucv n SER 79 N -3.75 3.26 -4.35 -2.05 3.41 -1.26 -4.92 113.62 103.96 1ucv n SER 79 Ca 0.09 1.02 -0.45 0.00 -0.26 0.00 0.00 58.87 59.27 1ucv n SER 79 Cb 0.70 -1.39 -0.05 0.00 -0.26 0.00 0.00 64.21 63.21 1ucv n SER 79 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1ucv s SER 80 N 2.60 6.19 0.00 4.04 1.04 -1.26 -5.12 113.70 121.18 1ucv s SER 80 Ca 0.86 -1.58 0.17 0.00 0.48 0.00 0.00 55.95 55.88 1ucv s SER 80 Cb -0.69 -2.25 0.13 0.00 0.10 0.00 0.00 66.02 63.32 1ucv s SER 80 CO 0.45 -0.94 1.03 0.61 0.98 0.00 0.00 173.24 175.37