#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 0.41 -3.50 1.61 0.87 -2.07 -3.36 113.55 107.51 1ucv h SER 2 Ca 0.00 0.04 -0.70 0.00 -1.23 0.00 0.00 61.79 59.89 1ucv h SER 2 Cb 0.00 -0.04 -0.31 0.00 -0.44 0.00 0.00 62.40 61.61 1ucv h SER 2 CO 0.00 0.27 -0.52 -0.44 -0.53 0.00 0.00 176.83 175.60 1ucv s SER 3 N -5.51 5.41 -0.23 6.23 0.01 -1.26 -5.05 113.70 113.30 1ucv s SER 3 Ca -0.13 -1.65 -0.20 0.00 1.31 0.00 0.00 55.95 55.28 1ucv s SER 3 Cb 0.15 -1.90 0.06 0.00 0.21 0.00 0.00 66.02 64.54 1ucv s SER 3 CO 0.74 -0.50 0.60 -0.83 0.41 0.00 0.00 173.24 173.66 1ucv s GLY 4 N 1.92 -0.46 0.43 3.44 0.00 -1.26 -5.16 107.32 106.24 1ucv s GLY 4 Ca 0.03 1.75 -0.22 0.00 0.00 0.00 0.00 44.72 46.28 1ucv s GLY 4 CO -0.00 1.55 1.01 -0.45 0.00 0.00 0.00 173.10 175.21 1ucv s SER 5 N 0.49 6.71 -0.08 1.64 0.15 -1.26 -4.70 113.70 116.65 1ucv s SER 5 Ca -0.01 1.89 -0.22 0.00 0.70 0.00 0.00 55.95 58.30 1ucv s SER 5 Cb -0.04 -2.56 -0.19 0.00 -1.71 0.00 0.00 66.02 61.52 1ucv s SER 5 CO -0.02 -0.52 0.80 -1.28 1.20 0.00 0.00 173.24 173.42 1ucv h SER 6 N 2.06 -0.07 0.00 5.45 0.87 -1.96 -3.48 113.55 116.42 1ucv h SER 6 Ca -0.49 -0.58 0.00 0.00 -1.23 0.00 0.00 61.79 59.50 1ucv h SER 6 Cb 1.21 0.02 0.00 0.00 -0.44 0.00 0.00 62.40 63.18 1ucv h SER 6 CO 0.61 0.64 0.00 0.61 -0.53 0.00 0.00 176.83 178.16 1ucv n GLY 7 N 1.04 1.21 3.37 5.77 0.00 -1.26 -5.04 105.19 110.28 1ucv n GLY 7 Ca -0.08 -0.03 -0.22 0.00 0.00 0.00 0.00 46.02 45.69 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 0.00 0.00 -4.73 0.99 -0.00 -1.26 -5.12 117.00 106.88 1ucv n LEU 8 Ca 0.00 -2.49 -0.32 0.00 -0.00 0.00 0.00 56.01 53.20 1ucv n LEU 8 Cb 0.00 -0.08 -0.08 0.00 -0.00 0.00 0.00 43.42 43.27 1ucv n LEU 8 CO 0.00 -0.57 -0.29 0.28 -0.00 0.00 0.00 177.39 176.81 1ucv s THR 9 N -2.38 4.37 0.48 1.47 -1.32 -1.26 -4.19 115.64 112.80 1ucv s THR 9 Ca 0.31 -0.68 0.38 0.00 -1.21 0.00 0.00 61.69 60.49 1ucv s THR 9 Cb -0.02 -3.03 0.56 0.00 -1.51 0.00 0.00 72.50 68.50 1ucv s THR 9 CO 0.20 0.25 1.26 0.52 -2.21 0.00 0.00 174.62 174.64 1ucv n VAL 10 N 0.93 0.00 0.04 5.08 0.31 -1.17 0.76 118.33 124.28 1ucv n VAL 10 Ca -0.12 1.21 -0.11 0.00 -0.01 0.00 0.00 64.34 65.31 1ucv n VAL 10 Cb 0.52 -2.05 -0.08 0.00 -0.91 0.00 0.00 33.84 31.32 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 -0.20 -0.24 2.92 0.00 -1.90 -2.56 103.07 101.09 1ucv h GLY 11 Ca 0.71 0.07 0.03 0.00 0.00 0.00 0.00 47.33 48.15 1ucv h GLY 11 CO -0.01 -0.07 -0.40 -0.55 0.00 0.00 0.00 176.54 175.52 1ucv h ASP 12 N -0.81 -1.31 0.20 0.19 5.19 -0.04 0.55 116.42 120.39 1ucv h ASP 12 Ca -0.02 0.17 0.00 0.00 -0.62 0.00 0.00 57.03 56.56 1ucv h ASP 12 Cb 0.54 0.53 -0.02 0.00 0.18 0.00 0.00 39.33 40.55 1ucv h ASP 12 CO 0.03 -0.30 -0.35 -0.25 -3.12 0.00 0.00 179.24 175.25 1ucv h TRP 13 N -0.32 -0.99 -1.15 4.55 7.01 -1.67 -1.44 115.95 121.95 1ucv h TRP 13 Ca 0.04 0.02 0.33 0.00 2.11 0.00 0.00 58.89 61.39 1ucv h TRP 13 Cb 0.44 0.40 -0.10 0.00 -2.10 0.00 0.00 29.16 27.80 1ucv h TRP 13 CO -0.66 -0.42 0.75 -0.07 -2.79 0.00 0.00 178.44 175.25 1ucv h LEU 14 N -0.58 0.34 -1.18 0.65 3.38 -1.22 0.64 115.31 117.35 1ucv h LEU 14 Ca -0.02 0.09 -0.00 0.00 0.09 0.00 0.00 57.88 58.04 1ucv h LEU 14 Cb 0.54 0.05 -0.04 0.00 0.09 0.00 0.00 40.66 41.30 1ucv h LEU 14 CO -0.12 -0.01 0.46 -0.78 0.09 0.00 0.00 178.44 178.08 1ucv h ASP 15 N 0.26 0.90 -0.95 -0.43 3.58 0.12 0.36 116.42 120.25 1ucv h ASP 15 Ca 0.66 -0.05 0.08 0.00 0.42 0.00 0.00 57.03 58.15 1ucv h ASP 15 Cb 1.93 -0.23 -0.07 0.00 1.72 0.00 0.00 39.33 42.68 1ucv h ASP 15 CO -0.31 0.69 0.60 -1.28 -2.88 0.00 0.00 179.24 176.06 1ucv h SER 16 N 1.04 0.92 -0.42 2.28 0.87 0.74 0.78 113.55 119.77 1ucv h SER 16 Ca 0.27 0.03 0.00 0.00 -1.23 0.00 0.00 61.79 60.86 1ucv h SER 16 Cb -0.05 -0.17 0.00 0.00 -0.44 0.00 0.00 62.40 61.74 1ucv h SER 16 CO -0.05 0.56 0.00 2.30 -0.53 0.00 0.00 176.83 179.11 1ucv n ILE 17 N -4.59 1.21 -2.55 2.23 -5.35 -0.87 -4.89 119.36 104.55 1ucv n ILE 17 Ca 0.15 -0.76 -0.19 0.00 -0.27 0.00 0.00 62.75 61.68 1ucv n ILE 17 Cb 0.23 -0.03 -0.00 0.00 -1.74 0.00 0.00 39.64 38.10 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 0.63 -2.41 -0.03 6.28 5.12 0.27 -4.83 116.66 121.69 1ucv n ARG 18 Ca 0.17 0.88 0.03 0.00 -1.93 0.00 0.00 57.85 56.99 1ucv n ARG 18 Cb 0.63 -5.57 0.04 0.00 -1.16 0.00 0.00 32.46 26.41 1ucv n ARG 18 CO 0.00 0.00 0.00 -1.33 -1.93 0.00 0.00 177.63 174.37 1ucv n MET 19 N -3.16 0.75 0.32 5.56 2.81 0.12 -4.65 117.12 118.86 1ucv n MET 19 Ca -0.19 -1.12 0.11 0.00 -1.81 0.00 0.00 57.70 54.69 1ucv n MET 19 Cb 0.65 -1.11 0.60 0.00 -0.71 0.00 0.00 33.22 32.65 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 1.05 0.00 1.83 3.03 0.00 -1.59 0.18 103.07 107.57 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 0.07 0.07 0.00 0.00 0.00 176.54 176.68 1ucv h ARG 21 N 0.00 0.00 -0.00 4.80 0.11 -1.88 0.15 114.38 117.56 1ucv h ARG 21 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 1ucv h ARG 21 Cb 0.97 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.05 1ucv h ARG 21 CO 0.00 0.00 -0.58 0.66 0.10 0.00 0.00 179.97 180.15 1ucv n TYR 22 N -3.90 0.00 -0.32 4.08 4.01 0.63 -4.26 117.16 117.40 1ucv n TYR 22 Ca -0.01 0.00 0.18 0.00 -0.16 0.00 0.00 57.90 57.91 1ucv n TYR 22 Cb 0.16 -0.17 0.38 0.00 -0.31 0.00 0.00 39.34 39.41 1ucv n TYR 22 CO 0.00 0.00 0.00 0.07 -0.46 0.00 0.00 176.86 176.47 1ucv h ARG 23 N 0.28 0.37 -0.15 -0.72 0.11 -0.78 0.91 114.38 114.40 1ucv h ARG 23 Ca 0.00 -0.02 0.02 0.00 0.10 0.00 0.00 59.98 60.08 1ucv h ARG 23 Cb 0.51 -0.08 -0.01 0.00 1.11 0.00 0.00 29.97 31.50 1ucv h ARG 23 CO 0.00 0.24 0.10 -0.44 0.10 0.00 0.00 179.97 179.98 1ucv h ASP 24 N 0.38 0.10 0.39 0.08 3.32 -1.74 -2.75 116.42 116.20 1ucv h ASP 24 Ca 0.64 -0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.67 1ucv h ASP 24 Cb 1.33 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 40.86 1ucv h ASP 24 CO -0.57 0.07 -0.19 0.45 -1.72 0.00 0.00 179.24 177.28 1ucv h HIS 25 N 0.12 -0.49 -0.87 4.55 3.86 0.58 -3.16 115.15 119.74 1ucv h HIS 25 Ca 0.06 -0.01 0.23 0.00 -1.16 0.00 0.00 60.37 59.49 1ucv h HIS 25 Cb 0.11 0.16 -0.14 0.00 1.06 0.00 0.00 27.41 28.60 1ucv h HIS 25 CO -0.00 -0.16 0.19 0.74 0.86 0.00 0.00 177.93 179.56 1ucv h PHE 26 N -0.86 0.26 -0.56 2.45 -1.00 -1.29 0.91 116.94 116.85 1ucv h PHE 26 Ca -0.05 0.05 0.13 0.00 2.81 0.00 0.00 57.97 60.91 1ucv h PHE 26 Cb 0.54 0.02 -0.03 0.00 3.61 0.00 0.00 35.95 40.10 1ucv h PHE 26 CO 0.02 -0.23 0.39 0.00 -1.61 0.00 0.00 178.31 176.87 1ucv h ALA 27 N 1.79 2.29 -0.11 2.45 0.00 -1.14 0.26 119.26 124.80 1ucv h ALA 27 Ca 0.54 -0.01 -0.23 0.00 0.00 0.00 0.00 54.91 55.20 1ucv h ALA 27 Cb 1.07 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.86 1ucv h ALA 27 CO -0.68 -0.44 -0.84 0.00 0.00 0.00 0.00 179.25 177.29 1ucv h ALA 28 N 1.72 0.29 0.00 0.00 0.00 0.85 -3.05 119.26 119.07 1ucv h ALA 28 Ca 0.27 -0.63 0.00 0.00 0.00 0.00 0.00 54.91 54.55 1ucv h ALA 28 Cb 0.82 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.61 1ucv h ALA 28 CO -0.04 0.69 0.00 0.41 0.00 0.00 0.00 179.25 180.31 1ucv n GLY 29 N 0.78 -0.79 0.47 0.00 0.00 -0.34 -4.82 105.19 100.50 1ucv n GLY 29 Ca -0.08 -0.15 0.00 0.00 0.00 0.00 0.00 46.02 45.79 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 0.53 0.87 3.12 -0.02 0.00 -0.90 -5.06 105.19 103.73 1ucv n GLY 30 Ca 0.17 -0.14 -0.34 0.00 0.00 0.00 0.00 46.02 45.71 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 3.36 -0.01 1.61 2.02 0.78 -4.89 117.35 118.22 1ucv s TYR 31 Ca 0.00 -2.19 0.00 0.00 -0.37 0.00 0.00 57.07 54.51 1ucv s TYR 31 Cb 0.00 -2.30 -0.00 0.00 -0.40 0.00 0.00 41.96 39.26 1ucv s TYR 31 CO 0.00 -0.86 0.01 0.45 -1.57 0.00 0.00 175.55 173.58 1ucv n SER 32 N 4.53 1.05 -4.58 2.29 2.88 -1.26 -1.54 113.62 116.99 1ucv n SER 32 Ca -0.10 -0.40 -0.25 0.00 -1.33 0.00 0.00 58.87 56.79 1ucv n SER 32 Cb 0.43 1.00 -0.10 0.00 -0.75 0.00 0.00 64.21 64.79 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 -1.23 3.92 0.03 -3.46 0.01 -1.26 -3.06 113.70 108.64 1ucv s SER 33 Ca 0.00 -1.10 -0.18 0.00 1.31 0.00 0.00 55.95 55.99 1ucv s SER 33 Cb 0.00 -0.43 -0.26 0.00 0.21 0.00 0.00 66.02 65.54 1ucv s SER 33 CO 0.01 -0.20 1.09 -0.07 0.41 0.00 0.00 173.24 174.48 1ucv h LEU 34 N 1.95 0.70 -0.83 2.44 -0.00 -1.92 -2.94 115.31 114.71 1ucv h LEU 34 Ca -0.42 -0.80 0.20 0.00 -0.00 0.00 0.00 57.88 56.86 1ucv h LEU 34 Cb 1.25 -0.22 -0.13 0.00 -0.00 0.00 0.00 40.66 41.57 1ucv h LEU 34 CO 0.68 1.42 0.24 1.23 -0.00 0.00 0.00 178.44 182.01 1ucv h GLY 35 N 0.07 1.27 2.00 0.83 0.00 -1.92 0.48 103.07 105.80 1ucv h GLY 35 Ca -0.13 -0.06 -0.09 0.00 0.00 0.00 0.00 47.33 47.06 1ucv h GLY 35 CO 0.17 -0.29 -0.41 0.00 0.00 0.00 0.00 176.54 176.02 1ucv h MET 36 N 0.27 0.00 0.00 4.80 -0.00 -1.90 -3.21 114.93 114.89 1ucv h MET 36 Ca 0.50 0.00 -0.15 0.00 -0.00 0.00 0.00 59.70 60.05 1ucv h MET 36 Cb 0.95 0.00 -0.02 0.00 -0.00 0.00 0.00 31.60 32.53 1ucv h MET 36 CO -0.58 0.41 -0.73 0.28 -0.00 0.00 0.00 176.91 176.29 1ucv h VAL 37 N 0.00 1.44 0.00 -0.10 2.07 -0.08 -3.08 116.25 116.50 1ucv h VAL 37 Ca -0.00 -2.58 -0.03 0.00 0.82 0.00 0.00 66.70 64.91 1ucv h VAL 37 Cb 1.26 2.42 -0.00 0.00 -1.52 0.00 0.00 31.29 33.45 1ucv h VAL 37 CO 0.05 0.72 -0.12 -0.07 0.02 0.00 0.00 177.57 178.17 1ucv h LEU 38 N 0.00 0.00 -2.63 2.57 4.07 -0.34 -1.91 115.31 117.07 1ucv h LEU 38 Ca -0.01 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.95 1ucv h LEU 38 Cb 1.36 0.00 0.00 0.00 1.08 0.00 0.00 40.66 43.10 1ucv h LEU 38 CO 0.10 0.12 0.00 -2.11 -1.08 0.00 0.00 178.44 175.47 1ucv n ARG 39 N -3.40 3.07 -2.57 1.13 1.85 -1.17 -4.78 116.66 110.79 1ucv n ARG 39 Ca -0.01 -2.44 -0.20 0.00 -1.00 0.00 0.00 57.85 54.20 1ucv n ARG 39 Cb 0.30 -1.70 0.09 0.00 -1.05 0.00 0.00 32.46 30.10 1ucv n ARG 39 CO 0.00 0.00 0.00 -1.33 -0.01 0.00 0.00 177.63 176.29 1ucv n MET 40 N 1.13 0.20 -3.61 2.89 2.81 -0.72 -5.09 117.12 114.73 1ucv n MET 40 Ca 0.22 -2.66 -0.05 0.00 -1.81 0.00 0.00 57.70 53.40 1ucv n MET 40 Cb 0.70 -0.47 -0.02 0.00 -0.71 0.00 0.00 33.22 32.73 1ucv n MET 40 CO 0.00 0.00 0.00 0.54 1.51 0.00 0.00 175.97 178.02 1ucv s ASN 41 N -4.61 -0.25 0.24 7.83 2.20 -1.26 -4.98 114.94 114.11 1ucv s ASN 41 Ca 0.60 -0.14 0.12 0.00 -0.94 0.00 0.00 52.86 52.49 1ucv s ASN 41 Cb -0.04 0.37 0.83 0.00 -2.00 0.00 0.00 41.25 40.41 1ucv s ASN 41 CO 0.39 -0.64 1.04 0.00 -2.94 0.00 0.00 177.10 174.96 1ucv n ALA 42 N -0.32 0.62 -0.09 3.54 0.00 -1.26 0.23 120.51 123.22 1ucv n ALA 42 Ca -0.07 0.68 -0.07 0.00 0.00 0.00 0.00 53.44 53.99 1ucv n ALA 42 Cb 0.61 -0.65 0.01 0.00 0.00 0.00 0.00 19.45 19.42 1ucv n ALA 42 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.50 177.87 1ucv h GLN 43 N 0.00 0.23 0.14 0.00 5.75 -2.00 0.19 115.11 119.41 1ucv h GLN 43 Ca 0.54 -0.01 -0.23 0.00 -0.15 0.00 0.00 58.65 58.80 1ucv h GLN 43 Cb 1.38 -0.05 0.02 0.00 1.07 0.00 0.00 27.48 29.90 1ucv h GLN 43 CO -0.53 0.15 -0.97 -0.44 -2.65 0.00 0.00 178.83 174.39 1ucv h ASP 44 N 0.23 0.61 -0.02 -0.69 3.32 0.24 -3.33 116.42 116.79 1ucv h ASP 44 Ca 0.15 -0.90 0.03 0.00 0.02 0.00 0.00 57.03 56.33 1ucv h ASP 44 Cb 0.13 -0.20 -0.04 0.00 0.22 0.00 0.00 39.33 39.45 1ucv h ASP 44 CO -0.17 1.46 -0.18 0.58 -1.72 0.00 0.00 179.24 179.21 1ucv h VAL 45 N -0.13 0.56 -0.88 -1.35 2.07 -0.41 -2.24 116.25 113.87 1ucv h VAL 45 Ca -0.16 0.00 0.23 0.00 0.82 0.00 0.00 66.70 67.59 1ucv h VAL 45 Cb 1.73 0.56 -0.15 0.00 -1.52 0.00 0.00 31.29 31.91 1ucv h VAL 45 CO 0.18 0.00 0.13 -0.09 0.02 0.00 0.00 177.57 177.81 1ucv h ARG 46 N -0.28 0.12 -0.85 1.57 1.12 -0.75 0.85 114.38 116.15 1ucv h ARG 46 Ca 0.06 -0.01 0.19 0.00 -1.11 0.00 0.00 59.98 59.11 1ucv h ARG 46 Cb 0.37 -0.03 -0.06 0.00 -0.01 0.00 0.00 29.97 30.24 1ucv h ARG 46 CO -0.19 0.08 0.57 0.00 -3.11 0.00 0.00 179.97 177.32 1ucv h ALA 47 N 1.82 2.20 0.00 2.80 0.00 -1.51 0.29 119.26 124.86 1ucv h ALA 47 Ca 0.54 0.01 -0.05 0.00 0.00 0.00 0.00 54.91 55.41 1ucv h ALA 47 Cb 1.07 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.82 1ucv h ALA 47 CO -0.73 -0.45 -0.23 -0.07 0.00 0.00 0.00 179.25 177.76 1ucv h LEU 48 N 0.40 0.00 0.00 0.00 3.38 0.74 -3.47 115.31 116.36 1ucv h LEU 48 Ca 0.44 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.41 1ucv h LEU 48 Cb 1.08 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.83 1ucv h LEU 48 CO -0.15 0.23 0.00 0.61 0.09 0.00 0.00 178.44 179.22 1ucv n GLY 49 N -0.83 0.88 3.55 0.83 0.00 0.10 -4.78 105.19 104.93 1ucv n GLY 49 Ca -0.02 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.62 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 -0.76 3.22 0.00 -0.61 1.09 -1.26 -4.65 121.20 118.23 1ucv s ILE 50 Ca 0.00 0.13 0.00 0.00 -1.10 0.00 0.00 60.65 59.68 1ucv s ILE 50 Cb 0.00 -3.59 0.00 0.00 -1.06 0.00 0.00 42.46 37.81 1ucv s ILE 50 CO 0.00 -0.57 0.00 0.35 -0.10 0.00 0.00 174.94 174.62 1ucv n THR 51 N 7.51 0.00 -1.47 2.92 -2.24 -1.26 -4.15 114.28 115.59 1ucv n THR 51 Ca 0.26 0.00 -0.44 0.00 -2.27 0.00 0.00 64.05 61.61 1ucv n THR 51 Cb 0.53 -0.35 -0.11 0.00 -2.10 0.00 0.00 70.33 68.30 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 -1.78 1.02 -0.20 3.22 7.99 -1.26 -4.60 117.00 121.39 1ucv n LEU 52 Ca 0.00 0.14 0.17 0.00 -0.01 0.00 0.00 56.01 56.31 1ucv n LEU 52 Cb 0.28 -1.10 0.32 0.00 -0.11 0.00 0.00 43.42 42.81 1ucv n LEU 52 CO 0.00 -0.90 0.61 0.23 -1.51 0.00 0.00 177.39 175.81 1ucv n MET 53 N 8.43 -0.04 -0.09 3.23 2.81 -1.26 0.24 117.12 130.45 1ucv n MET 53 Ca 0.55 0.84 -0.11 0.00 -1.81 0.00 0.00 57.70 57.18 1ucv n MET 53 Cb 0.15 -1.48 -0.04 0.00 -0.71 0.00 0.00 33.22 31.15 1ucv n MET 53 CO 0.00 0.00 0.00 0.78 1.51 0.00 0.00 175.97 178.26 1ucv h GLY 54 N 0.00 0.46 0.28 3.03 0.00 -2.01 -2.55 103.07 102.29 1ucv h GLY 54 Ca 0.48 -0.30 -0.01 0.00 0.00 0.00 0.00 47.33 47.50 1ucv h GLY 54 CO -0.48 0.28 -0.10 0.45 0.00 0.00 0.00 176.54 176.68 1ucv h HIS 55 N 0.25 -0.27 -0.97 5.60 3.86 0.29 -3.24 115.15 120.67 1ucv h HIS 55 Ca 0.08 -0.01 0.31 0.00 -1.16 0.00 0.00 60.37 59.59 1ucv h HIS 55 Cb 0.31 0.09 -0.17 0.00 1.06 0.00 0.00 27.41 28.69 1ucv h HIS 55 CO 0.02 0.01 0.22 1.96 0.86 0.00 0.00 177.93 181.00 1ucv h GLN 56 N -1.01 0.05 -0.54 2.45 4.20 -0.84 0.73 115.11 120.14 1ucv h GLN 56 Ca -0.03 -0.00 0.05 0.00 0.06 0.00 0.00 58.65 58.73 1ucv h GLN 56 Cb 0.40 -0.01 -0.05 0.00 0.30 0.00 0.00 27.48 28.12 1ucv h GLN 56 CO 0.05 0.03 0.27 0.87 -0.67 0.00 0.00 178.83 179.39 1ucv h LYS 57 N 0.05 0.51 0.68 1.46 1.57 -1.53 0.92 116.57 120.23 1ucv h LYS 57 Ca 0.66 -0.03 -0.03 0.00 -1.87 0.00 0.00 60.65 59.38 1ucv h LYS 57 Cb 1.50 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 33.70 1ucv h LYS 57 CO -0.82 0.34 -0.35 0.87 -0.57 0.00 0.00 179.45 178.92 1ucv h LYS 58 N 0.53 -0.90 0.12 3.15 6.56 0.43 0.36 116.57 126.81 1ucv h LYS 58 Ca 0.24 0.06 -0.00 0.00 -1.06 0.00 0.00 60.65 59.89 1ucv h LYS 58 Cb 0.16 0.21 -0.01 0.00 -0.57 0.00 0.00 32.23 32.01 1ucv h LYS 58 CO -0.17 -0.60 -0.16 0.82 -2.06 0.00 0.00 179.45 177.28 1ucv h ILE 59 N -0.94 0.00 -0.44 1.86 2.04 -1.32 0.81 117.51 119.52 1ucv h ILE 59 Ca -0.09 0.00 0.09 0.00 1.00 0.00 0.00 64.86 65.85 1ucv h ILE 59 Cb 0.73 0.00 -0.10 0.00 -0.74 0.00 0.00 36.82 36.71 1ucv h ILE 59 CO 0.14 0.00 -0.32 -0.07 0.00 0.00 0.00 178.15 177.89 1ucv h LEU 60 N -0.29 -1.09 -1.65 1.44 4.07 -0.91 0.20 115.31 117.09 1ucv h LEU 60 Ca -0.01 0.20 0.00 0.00 0.08 0.00 0.00 57.88 58.15 1ucv h LEU 60 Cb 0.26 0.52 -0.02 0.00 1.08 0.00 0.00 40.66 42.50 1ucv h LEU 60 CO -0.04 -0.31 0.23 1.23 -1.08 0.00 0.00 178.44 178.46 1ucv h GLY 61 N -0.23 0.49 1.77 0.83 0.00 -0.14 -1.14 103.07 104.65 1ucv h GLY 61 Ca 0.19 -0.19 -0.14 0.00 0.00 0.00 0.00 47.33 47.19 1ucv h GLY 61 CO -0.57 0.18 -0.57 0.23 0.00 0.00 0.00 176.54 175.81 1ucv h SER 62 N 0.47 0.27 0.03 0.19 0.87 0.32 -3.20 113.55 112.50 1ucv h SER 62 Ca 0.13 -0.15 -0.00 0.00 -1.23 0.00 0.00 61.79 60.54 1ucv h SER 62 Cb -0.05 -0.08 0.00 0.00 -0.44 0.00 0.00 62.40 61.84 1ucv h SER 62 CO -0.03 0.78 -0.01 0.40 -0.53 0.00 0.00 176.83 177.45 1ucv h ILE 63 N 0.18 1.42 -1.15 2.23 2.04 0.14 -2.57 117.51 119.80 1ucv h ILE 63 Ca -0.00 -1.54 0.35 0.00 1.00 0.00 0.00 64.86 64.67 1ucv h ILE 63 Cb 1.06 2.43 -0.12 0.00 -0.74 0.00 0.00 36.82 39.46 1ucv h ILE 63 CO 0.09 0.38 0.73 0.06 0.00 0.00 0.00 178.15 179.42 1ucv h GLN 64 N -0.72 0.24 0.00 2.37 3.07 -1.29 1.15 115.11 119.92 1ucv h GLN 64 Ca -0.00 -0.01 -0.15 0.00 0.09 0.00 0.00 58.65 58.57 1ucv h GLN 64 Cb 0.66 -0.05 -0.02 0.00 0.08 0.00 0.00 27.48 28.14 1ucv h GLN 64 CO 0.01 0.16 -0.84 0.00 0.09 0.00 0.00 178.83 178.25 1ucv h THR 65 N 0.25 1.05 -0.00 1.86 1.03 -1.57 -1.88 112.91 113.65 1ucv h THR 65 Ca 0.71 -2.55 -0.18 0.00 -0.01 0.00 0.00 66.41 64.38 1ucv h THR 65 Cb 2.00 2.49 -0.02 0.00 -1.07 0.00 0.00 68.15 71.55 1ucv h THR 65 CO -0.39 0.60 -0.81 0.24 -0.01 0.00 0.00 175.52 175.14 1ucv h MET 66 N 0.00 0.09 0.06 0.00 2.86 0.16 -3.28 114.93 114.82 1ucv h MET 66 Ca -0.04 -0.09 -0.31 0.00 -2.06 0.00 0.00 59.70 57.19 1ucv h MET 66 Cb 1.56 0.03 -0.03 0.00 0.06 0.00 0.00 31.60 33.21 1ucv h MET 66 CO 0.08 0.85 -1.69 0.07 1.06 0.00 0.00 176.91 177.28 1ucv h ARG 67 N 0.05 0.13 -0.80 1.72 0.11 -0.66 -3.36 114.38 111.57 1ucv h ARG 67 Ca -0.02 -0.23 0.17 0.00 0.10 0.00 0.00 59.98 60.00 1ucv h ARG 67 Cb 1.42 0.08 -0.11 0.00 1.11 0.00 0.00 29.97 32.48 1ucv h ARG 67 CO 0.11 0.87 0.31 0.00 0.10 0.00 0.00 179.97 181.36 1ucv h ALA 68 N 0.63 1.16 -0.83 0.08 0.00 -1.40 -0.09 119.26 118.82 1ucv h ALA 68 Ca -0.29 0.13 0.19 0.00 0.00 0.00 0.00 54.91 54.94 1ucv h ALA 68 Cb 2.01 0.12 -0.11 0.00 0.00 0.00 0.00 17.79 19.80 1ucv h ALA 68 CO 0.11 -0.25 0.31 -0.56 0.00 0.00 0.00 179.25 178.85 1ucv h GLN 69 N 0.42 0.37 0.28 0.00 3.07 -1.71 0.97 115.11 118.50 1ucv h GLN 69 Ca 0.46 -0.02 -0.01 0.00 0.09 0.00 0.00 58.65 59.17 1ucv h GLN 69 Cb 0.75 -0.08 -0.01 0.00 0.08 0.00 0.00 27.48 28.22 1ucv h GLN 69 CO -0.45 0.24 -0.20 -0.07 0.09 0.00 0.00 178.83 178.44 1ucv h LEU 70 N 0.38 -0.51 -0.59 0.06 3.38 -1.22 -2.88 115.31 113.93 1ucv h LEU 70 Ca 0.49 0.04 0.03 0.00 0.09 0.00 0.00 57.88 58.52 1ucv h LEU 70 Cb 0.86 0.16 -0.04 0.00 0.09 0.00 0.00 40.66 41.73 1ucv h LEU 70 CO -0.50 -0.31 0.35 0.71 0.09 0.00 0.00 178.44 178.78 1ucv h THR 71 N -0.48 1.06 -2.94 0.22 1.35 -1.14 -3.38 112.91 107.61 1ucv h THR 71 Ca -0.02 -0.24 -0.55 0.00 -0.55 0.00 0.00 66.41 65.05 1ucv h THR 71 Cb 0.41 0.30 -0.07 0.00 -1.73 0.00 0.00 68.15 67.07 1ucv h THR 71 CO 0.01 0.13 1.05 -0.55 -0.25 0.00 0.00 175.52 175.90 1ucv s SER 72 N -5.64 6.26 0.40 5.36 0.15 0.22 -5.00 113.70 115.46 1ucv s SER 72 Ca -0.13 0.17 -0.25 0.00 0.70 0.00 0.00 55.95 56.44 1ucv s SER 72 Cb 0.14 -2.55 -0.08 0.00 -1.71 0.00 0.00 66.02 61.82 1ucv s SER 72 CO 0.75 -1.63 1.15 -0.89 1.20 0.00 0.00 173.24 173.82 1ucv s THR 73 N 5.60 3.25 0.39 6.45 2.01 -1.26 -4.80 115.64 127.28 1ucv s THR 73 Ca 0.47 1.03 0.07 0.00 0.31 0.00 0.00 61.69 63.58 1ucv s THR 73 Cb -0.09 -3.57 -0.08 0.00 0.01 0.00 0.00 72.50 68.77 1ucv s THR 73 CO 0.24 0.08 -0.01 0.00 -0.69 0.00 0.00 174.62 174.24 1ucv s GLN 74 N -2.31 1.91 -0.22 4.92 1.03 -1.26 -5.16 119.66 118.57 1ucv s GLN 74 Ca 0.57 -2.06 -0.17 0.00 0.04 0.00 0.00 55.36 53.75 1ucv s GLN 74 Cb -0.29 -1.62 0.06 0.00 0.03 0.00 0.00 33.01 31.19 1ucv s GLN 74 CO 0.37 -0.01 0.56 0.20 -2.54 0.00 0.00 175.29 173.87 1ucv s GLY 75 N -3.67 -0.45 0.21 2.60 0.00 -1.26 -5.17 107.32 99.58 1ucv s GLY 75 Ca 0.34 1.74 -0.03 0.00 0.00 0.00 0.00 44.72 46.78 1ucv s GLY 75 CO 0.17 1.64 0.20 -1.35 0.00 0.00 0.00 173.10 173.76 1ucv s SER 76 N 0.80 0.11 0.27 1.64 1.04 -1.26 -5.18 113.70 111.11 1ucv s SER 76 Ca -0.04 -1.30 0.04 0.00 0.48 0.00 0.00 55.95 55.14 1ucv s SER 76 Cb -0.05 0.42 0.04 0.00 0.10 0.00 0.00 66.02 66.53 1ucv s SER 76 CO -0.06 -0.90 0.36 0.61 0.98 0.00 0.00 173.24 174.23 1ucv n GLY 77 N -0.29 1.89 3.53 7.32 0.00 -1.26 -4.97 105.19 111.42 1ucv n GLY 77 Ca 0.01 -2.17 -0.35 0.00 0.00 0.00 0.00 46.02 43.51 1ucv n GLY 77 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1ucv n PRO 78 N -1.57 0.59 -1.13 1.61 -0.02 -1.26 -4.90 135.00 128.32 1ucv n PRO 78 Ca 0.07 -0.07 -0.32 0.00 -2.02 0.00 0.00 63.50 61.16 1ucv n PRO 78 Cb 0.26 -2.68 0.12 0.00 -0.02 0.00 0.00 33.50 31.18 1ucv n PRO 78 CO 0.00 0.00 0.00 -1.12 1.98 0.00 0.00 175.50 176.36 1ucv s SER 79 N 10.45 3.82 -0.07 2.55 0.01 -1.26 -4.95 113.70 124.25 1ucv s SER 79 Ca 1.12 2.15 -0.30 0.00 1.31 0.00 0.00 55.95 60.24 1ucv s SER 79 Cb -0.58 -2.56 -0.03 0.00 0.21 0.00 0.00 66.02 63.06 1ucv s SER 79 CO 0.34 -2.50 1.15 -0.94 0.41 0.00 0.00 173.24 171.69 1ucv s SER 80 N -2.62 7.10 0.00 2.44 1.04 -1.26 -5.31 113.70 115.10 1ucv s SER 80 Ca 0.68 1.73 0.00 0.00 0.48 0.00 0.00 55.95 58.84 1ucv s SER 80 Cb -0.23 -2.56 0.00 0.00 0.10 0.00 0.00 66.02 63.33 1ucv s SER 80 CO 0.52 -0.55 0.00 0.61 0.98 0.00 0.00 173.24 174.80