#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 0.00 -3.21 1.61 0.87 -2.09 -3.48 113.55 107.26 1ucv h SER 2 Ca 0.00 -0.57 -0.07 0.00 -1.23 0.00 0.00 61.79 59.92 1ucv h SER 2 Cb 0.00 0.00 -0.24 0.00 -0.44 0.00 0.00 62.40 61.72 1ucv h SER 2 CO 0.00 0.96 -0.18 -0.44 -0.53 0.00 0.00 176.83 176.64 1ucv s SER 3 N -6.15 -0.66 0.98 6.23 0.01 -1.26 -5.16 113.70 107.69 1ucv s SER 3 Ca -0.16 1.11 -0.11 0.00 1.31 0.00 0.00 55.95 58.09 1ucv s SER 3 Cb -0.00 0.99 0.18 0.00 0.21 0.00 0.00 66.02 67.40 1ucv s SER 3 CO 0.46 -0.21 1.09 -0.83 0.41 0.00 0.00 173.24 174.16 1ucv s GLY 4 N 1.38 1.61 0.19 3.44 0.00 -1.26 -5.02 107.32 107.66 1ucv s GLY 4 Ca -0.09 0.09 -0.07 0.00 0.00 0.00 0.00 44.72 44.65 1ucv s GLY 4 CO -0.14 0.63 0.46 -0.56 0.00 0.00 0.00 173.10 173.49 1ucv s SER 5 N -2.96 6.56 -1.31 1.64 0.01 -1.26 -4.27 113.70 112.11 1ucv s SER 5 Ca 0.66 0.76 -0.07 0.00 1.31 0.00 0.00 55.95 58.60 1ucv s SER 5 Cb -0.21 -2.16 0.01 0.00 0.21 0.00 0.00 66.02 63.87 1ucv s SER 5 CO 0.59 -0.01 1.13 -1.20 0.41 0.00 0.00 173.24 174.17 1ucv n SER 6 N -0.03 -5.41 -2.40 2.44 7.64 -1.26 -4.89 113.62 109.72 1ucv n SER 6 Ca -0.01 -0.55 -0.03 0.00 1.01 0.00 0.00 58.87 59.30 1ucv n SER 6 Cb 0.52 -5.00 0.10 0.00 -1.01 0.00 0.00 64.21 58.82 1ucv n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ucv n GLY 7 N -1.81 1.72 3.53 0.23 0.00 -1.26 -5.05 105.19 102.54 1ucv n GLY 7 Ca -0.05 -0.14 -0.30 0.00 0.00 0.00 0.00 46.02 45.52 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 -1.29 0.00 -4.73 0.99 -0.00 -1.26 -4.91 117.00 105.80 1ucv n LEU 8 Ca -0.18 -3.15 -0.32 0.00 -0.00 0.00 0.00 56.01 52.36 1ucv n LEU 8 Cb 0.84 0.57 -0.08 0.00 -0.00 0.00 0.00 43.42 44.75 1ucv n LEU 8 CO -0.15 -0.46 -0.29 0.28 -0.00 0.00 0.00 177.39 176.77 1ucv s THR 9 N -2.91 4.37 0.43 1.47 -1.32 -1.26 -4.25 115.64 112.17 1ucv s THR 9 Ca 0.07 -0.66 0.36 0.00 -1.21 0.00 0.00 61.69 60.25 1ucv s THR 9 Cb 0.00 -3.02 0.53 0.00 -1.51 0.00 0.00 72.50 68.50 1ucv s THR 9 CO 0.05 0.26 1.15 0.52 -2.21 0.00 0.00 174.62 174.40 1ucv n VAL 10 N 0.97 0.00 -0.04 5.08 0.31 -1.22 0.20 118.33 123.63 1ucv n VAL 10 Ca -0.12 1.10 -0.14 0.00 -0.01 0.00 0.00 64.34 65.18 1ucv n VAL 10 Cb 0.52 -1.86 -0.09 0.00 -0.91 0.00 0.00 33.84 31.51 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 0.30 0.18 2.92 0.00 -1.89 -2.61 103.07 101.97 1ucv h GLY 11 Ca 0.67 -0.37 -0.00 0.00 0.00 0.00 0.00 47.33 47.62 1ucv h GLY 11 CO -0.01 0.33 -0.25 -1.80 0.00 0.00 0.00 176.54 174.82 1ucv h ASP 12 N -0.19 -0.70 -0.09 0.19 1.82 0.18 0.36 116.42 117.99 1ucv h ASP 12 Ca -0.00 0.06 0.03 0.00 -0.39 0.00 0.00 57.03 56.73 1ucv h ASP 12 Cb 0.79 0.24 -0.06 0.00 0.68 0.00 0.00 39.33 40.98 1ucv h ASP 12 CO 0.04 -0.30 -0.50 -0.25 -1.61 0.00 0.00 179.24 176.63 1ucv h TRP 13 N -0.44 -1.45 -0.75 0.28 7.01 -1.67 -1.31 115.95 117.62 1ucv h TRP 13 Ca -0.02 0.05 0.16 0.00 2.11 0.00 0.00 58.89 61.19 1ucv h TRP 13 Cb 0.40 0.65 -0.11 0.00 -2.10 0.00 0.00 29.16 28.00 1ucv h TRP 13 CO -0.23 -0.53 0.22 -0.07 -2.79 0.00 0.00 178.44 175.04 1ucv h LEU 14 N -0.58 0.10 -0.91 0.65 3.38 -1.39 0.67 115.31 117.22 1ucv h LEU 14 Ca 0.04 0.14 0.18 0.00 0.09 0.00 0.00 57.88 58.33 1ucv h LEU 14 Cb 0.68 0.16 -0.11 0.00 0.09 0.00 0.00 40.66 41.49 1ucv h LEU 14 CO -0.40 -0.00 0.48 -0.78 0.09 0.00 0.00 178.44 177.84 1ucv h ASP 15 N 0.32 0.56 -0.74 -0.43 3.58 0.88 0.28 116.42 120.87 1ucv h ASP 15 Ca 0.42 0.11 0.14 0.00 0.42 0.00 0.00 57.03 58.12 1ucv h ASP 15 Cb 0.70 0.02 -0.10 0.00 1.72 0.00 0.00 39.33 41.68 1ucv h ASP 15 CO -0.48 0.18 0.27 -1.28 -2.88 0.00 0.00 179.24 175.05 1ucv h SER 16 N 0.61 0.21 -0.44 2.28 0.87 -0.37 0.37 113.55 117.07 1ucv h SER 16 Ca 0.53 0.12 0.00 0.00 -1.23 0.00 0.00 61.79 61.20 1ucv h SER 16 Cb 0.84 0.11 0.00 0.00 -0.44 0.00 0.00 62.40 62.91 1ucv h SER 16 CO -0.41 0.07 0.00 2.30 -0.53 0.00 0.00 176.83 178.26 1ucv n ILE 17 N -5.04 1.31 -3.20 2.23 -5.35 -0.11 -4.90 119.36 104.30 1ucv n ILE 17 Ca 0.14 -0.82 -0.23 0.00 -0.27 0.00 0.00 62.75 61.57 1ucv n ILE 17 Cb 0.42 -0.03 0.05 0.00 -1.74 0.00 0.00 39.64 38.34 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 0.69 -5.86 0.00 6.28 1.74 0.13 -4.87 116.66 114.77 1ucv n ARG 18 Ca 0.18 0.89 0.01 0.00 -0.77 0.00 0.00 57.85 58.16 1ucv n ARG 18 Cb 0.67 -5.81 0.01 0.00 -1.02 0.00 0.00 32.46 26.30 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 -4.34 -0.09 0.11 5.56 2.81 0.79 -4.68 117.12 117.27 1ucv n MET 19 Ca -0.08 -0.55 0.19 0.00 -1.81 0.00 0.00 57.70 55.45 1ucv n MET 19 Cb 0.60 -0.99 0.65 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 0.36 0.00 1.47 3.03 0.00 -1.74 0.23 103.07 106.42 1ucv h GLY 20 Ca 0.00 0.00 0.07 0.00 0.00 0.00 0.00 47.33 47.40 1ucv h GLY 20 CO 0.00 0.00 0.19 0.07 0.00 0.00 0.00 176.54 176.80 1ucv h ARG 21 N 0.00 0.00 -0.00 4.80 0.11 -1.91 0.25 114.38 117.64 1ucv h ARG 21 Ca 0.19 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.27 1ucv h ARG 21 Cb 1.40 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.48 1ucv h ARG 21 CO -0.00 0.00 -0.48 0.66 0.10 0.00 0.00 179.97 180.25 1ucv n TYR 22 N -4.28 0.00 -0.31 4.08 4.01 0.79 -4.28 117.16 117.18 1ucv n TYR 22 Ca 0.03 0.00 0.07 0.00 -0.16 0.00 0.00 57.90 57.83 1ucv n TYR 22 Cb 0.34 -0.23 0.16 0.00 -0.31 0.00 0.00 39.34 39.31 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 0.17 0.02 -0.93 -0.72 0.11 -0.54 1.02 114.38 113.51 1ucv h ARG 23 Ca 0.00 -0.00 0.21 0.00 0.10 0.00 0.00 59.98 60.29 1ucv h ARG 23 Cb 0.50 -0.01 -0.07 0.00 1.11 0.00 0.00 29.97 31.51 1ucv h ARG 23 CO 0.00 0.02 0.61 0.22 0.10 0.00 0.00 179.97 180.92 1ucv h ASP 24 N 0.02 0.41 0.70 0.08 3.58 -1.74 -1.91 116.42 117.57 1ucv h ASP 24 Ca 0.46 0.05 -0.03 0.00 0.42 0.00 0.00 57.03 57.92 1ucv h ASP 24 Cb 0.79 -0.03 0.01 0.00 1.72 0.00 0.00 39.33 41.82 1ucv h ASP 24 CO -0.86 0.15 -0.34 0.45 -2.88 0.00 0.00 179.24 175.76 1ucv h HIS 25 N 0.40 -0.87 -0.81 0.28 3.86 0.79 -2.72 115.15 116.09 1ucv h HIS 25 Ca 0.49 -0.02 0.19 0.00 -1.16 0.00 0.00 60.37 59.87 1ucv h HIS 25 Cb 1.23 0.29 -0.14 0.00 1.06 0.00 0.00 27.41 29.85 1ucv h HIS 25 CO -0.00 -0.52 0.01 0.74 0.86 0.00 0.00 177.93 179.02 1ucv h PHE 26 N -1.06 -0.04 -0.62 2.45 -1.00 -1.19 0.70 116.94 116.18 1ucv h PHE 26 Ca -0.10 0.06 0.07 0.00 2.81 0.00 0.00 57.97 60.81 1ucv h PHE 26 Cb 0.75 0.15 -0.04 0.00 3.61 0.00 0.00 35.95 40.42 1ucv h PHE 26 CO -0.01 -0.27 0.41 0.00 -1.61 0.00 0.00 178.31 176.83 1ucv h ALA 27 N 1.77 1.83 -0.16 2.45 0.00 0.02 0.45 119.26 125.62 1ucv h ALA 27 Ca 0.45 -0.02 -0.13 0.00 0.00 0.00 0.00 54.91 55.21 1ucv h ALA 27 Cb 0.82 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 1ucv h ALA 27 CO -0.72 0.06 -0.48 0.00 0.00 0.00 0.00 179.25 178.12 1ucv h ALA 28 N 1.67 0.89 -0.06 0.00 0.00 0.70 -2.73 119.26 119.73 1ucv h ALA 28 Ca 0.27 -0.47 0.00 0.00 0.00 0.00 0.00 54.91 54.72 1ucv h ALA 28 Cb 0.33 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.02 1ucv h ALA 28 CO -0.08 0.66 0.00 0.41 0.00 0.00 0.00 179.25 180.23 1ucv n GLY 29 N 0.05 -0.65 0.72 0.00 0.00 -0.41 -4.83 105.19 100.08 1ucv n GLY 29 Ca -0.02 -0.15 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 0.77 0.78 3.00 -0.02 0.00 -1.03 -5.06 105.19 103.63 1ucv n GLY 30 Ca 0.09 -0.32 -0.31 0.00 0.00 0.00 0.00 46.02 45.48 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 2.99 -0.01 1.61 1.51 0.14 -4.91 117.35 116.69 1ucv s TYR 31 Ca 0.00 -2.24 0.00 0.00 -1.01 0.00 0.00 57.07 53.82 1ucv s TYR 31 Cb 0.00 -2.00 -0.00 0.00 -0.11 0.00 0.00 41.96 39.85 1ucv s TYR 31 CO 0.00 -0.86 0.01 0.45 -1.11 0.00 0.00 175.55 174.04 1ucv n SER 32 N 4.50 1.30 -4.66 2.29 2.88 -1.26 0.18 113.62 118.84 1ucv n SER 32 Ca -0.09 -0.37 -0.26 0.00 -1.33 0.00 0.00 58.87 56.82 1ucv n SER 32 Cb 0.43 1.00 -0.09 0.00 -0.75 0.00 0.00 64.21 64.80 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 -1.28 4.16 -0.01 -3.46 0.01 -1.26 -3.38 113.70 108.48 1ucv s SER 33 Ca 0.00 -1.13 -0.19 0.00 1.31 0.00 0.00 55.95 55.94 1ucv s SER 33 Cb 0.00 -0.47 -0.32 0.00 0.21 0.00 0.00 66.02 65.44 1ucv s SER 33 CO 0.01 -0.39 0.97 -0.07 0.41 0.00 0.00 173.24 174.17 1ucv h LEU 34 N 1.68 0.65 -0.86 2.44 -0.00 -1.92 -2.96 115.31 114.35 1ucv h LEU 34 Ca -0.43 -0.91 0.20 0.00 -0.00 0.00 0.00 57.88 56.74 1ucv h LEU 34 Cb 1.25 -0.21 -0.12 0.00 -0.00 0.00 0.00 40.66 41.58 1ucv h LEU 34 CO 0.72 1.51 0.34 1.23 -0.00 0.00 0.00 178.44 182.23 1ucv h GLY 35 N -0.10 1.40 2.00 0.83 0.00 -1.96 0.31 103.07 105.54 1ucv h GLY 35 Ca -0.18 -0.13 -0.13 0.00 0.00 0.00 0.00 47.33 46.89 1ucv h GLY 35 CO 0.20 -0.24 -0.60 0.00 0.00 0.00 0.00 176.54 175.90 1ucv h MET 36 N 0.37 0.00 -0.17 4.80 -0.00 -1.99 -3.26 114.93 114.68 1ucv h MET 36 Ca 0.52 0.00 -0.15 0.00 -0.00 0.00 0.00 59.70 60.07 1ucv h MET 36 Cb 0.96 0.00 -0.01 0.00 -0.00 0.00 0.00 31.60 32.55 1ucv h MET 36 CO -0.52 0.60 -0.53 0.28 -0.00 0.00 0.00 176.91 176.73 1ucv h VAL 37 N 0.00 1.33 -0.00 -0.10 2.07 -0.36 -2.84 116.25 116.35 1ucv h VAL 37 Ca -0.01 -1.78 0.00 0.00 0.82 0.00 0.00 66.70 65.73 1ucv h VAL 37 Cb 1.43 1.77 -0.00 0.00 -1.52 0.00 0.00 31.29 32.98 1ucv h VAL 37 CO 0.08 0.55 0.02 -0.07 0.02 0.00 0.00 177.57 178.16 1ucv h LEU 38 N 0.38 0.00 0.00 2.57 4.07 -0.76 0.13 115.31 121.70 1ucv h LEU 38 Ca 0.01 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.97 1ucv h LEU 38 Cb 1.05 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.79 1ucv h LEU 38 CO 0.10 0.00 -0.81 0.03 -1.08 0.00 0.00 178.44 176.68 1ucv h ARG 39 N 0.00 0.00 -6.71 1.13 2.47 -1.65 -3.46 114.38 106.16 1ucv h ARG 39 Ca 0.00 0.00 -0.35 0.00 -1.26 0.00 0.00 59.98 58.37 1ucv h ARG 39 Cb 0.04 0.00 0.20 0.00 -1.65 0.00 0.00 29.97 28.55 1ucv h ARG 39 CO -0.00 0.00 -0.29 -1.33 0.56 0.00 0.00 179.97 178.91 1ucv n MET 40 N -2.42 -3.39 -3.54 0.04 2.81 0.45 -5.06 117.12 106.01 1ucv n MET 40 Ca 0.02 -0.99 -0.07 0.00 -1.81 0.00 0.00 57.70 54.84 1ucv n MET 40 Cb 0.50 -1.83 -0.02 0.00 -0.71 0.00 0.00 33.22 31.16 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 -2.50 -0.28 0.18 7.83 4.22 -1.26 -4.98 114.94 118.15 1ucv s ASN 41 Ca 0.58 0.04 -0.03 0.00 -2.14 0.00 0.00 52.86 51.31 1ucv s ASN 41 Cb -0.13 0.29 0.36 0.00 1.28 0.00 0.00 41.25 43.04 1ucv s ASN 41 CO 0.54 -0.46 0.96 0.00 -2.04 0.00 0.00 177.10 176.10 1ucv n ALA 42 N -0.09 0.21 -0.06 3.54 0.00 -1.26 0.21 120.51 123.06 1ucv n ALA 42 Ca -0.06 0.67 -0.08 0.00 0.00 0.00 0.00 53.44 53.98 1ucv n ALA 42 Cb 0.60 -0.44 -0.02 0.00 0.00 0.00 0.00 19.45 19.60 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 0.06 0.22 0.00 5.75 -2.00 -0.13 115.11 119.01 1ucv h GLN 43 Ca 0.33 -0.00 -0.01 0.00 -0.15 0.00 0.00 58.65 58.81 1ucv h GLN 43 Cb 0.57 -0.01 0.00 0.00 1.07 0.00 0.00 27.48 29.11 1ucv h GLN 43 CO -0.61 0.04 -0.11 -0.44 -2.65 0.00 0.00 178.83 175.06 1ucv h ASP 44 N 0.06 -0.25 -0.78 -0.69 3.32 0.20 -3.30 116.42 114.99 1ucv h ASP 44 Ca 0.12 -0.22 0.14 0.00 0.02 0.00 0.00 57.03 57.08 1ucv h ASP 44 Cb 0.15 0.06 -0.14 0.00 0.22 0.00 0.00 39.33 39.63 1ucv h ASP 44 CO -0.20 0.27 -0.32 0.58 -1.72 0.00 0.00 179.24 177.85 1ucv h VAL 45 N -0.96 0.11 -0.87 -1.35 2.07 0.05 0.24 116.25 115.53 1ucv h VAL 45 Ca -0.03 0.00 0.23 0.00 0.82 0.00 0.00 66.70 67.72 1ucv h VAL 45 Cb 0.46 0.11 -0.15 0.00 -1.52 0.00 0.00 31.29 30.19 1ucv h VAL 45 CO 0.05 0.00 0.09 -0.09 0.02 0.00 0.00 177.57 177.64 1ucv h ARG 46 N -0.07 0.11 -0.92 1.57 1.12 -1.12 0.69 114.38 115.75 1ucv h ARG 46 Ca 0.31 -0.01 0.13 0.00 -1.11 0.00 0.00 59.98 59.30 1ucv h ARG 46 Cb 0.58 -0.02 -0.07 0.00 -0.01 0.00 0.00 29.97 30.44 1ucv h ARG 46 CO -0.82 0.07 0.59 0.00 -3.11 0.00 0.00 179.97 176.70 1ucv h ALA 47 N 1.82 1.71 -0.09 2.80 0.00 -0.59 0.15 119.26 125.05 1ucv h ALA 47 Ca 0.52 0.02 0.03 0.00 0.00 0.00 0.00 54.91 55.47 1ucv h ALA 47 Cb 1.02 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.65 1ucv h ALA 47 CO -0.74 0.05 0.09 -0.07 0.00 0.00 0.00 179.25 178.58 1ucv h LEU 48 N 0.81 0.00 0.00 0.00 3.38 0.52 -3.46 115.31 116.56 1ucv h LEU 48 Ca 0.46 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.43 1ucv h LEU 48 Cb 0.61 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.36 1ucv h LEU 48 CO -0.22 0.00 0.00 0.61 0.09 0.00 0.00 178.44 178.92 1ucv n GLY 49 N -1.39 1.05 3.56 0.83 0.00 0.51 -4.76 105.19 104.98 1ucv n GLY 49 Ca -0.01 0.00 -0.39 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 -1.11 3.40 -0.01 -0.61 1.09 -1.25 -4.68 121.20 118.02 1ucv s ILE 50 Ca 0.00 0.26 0.01 0.00 -1.10 0.00 0.00 60.65 59.82 1ucv s ILE 50 Cb 0.00 -3.97 -0.01 0.00 -1.06 0.00 0.00 42.46 37.41 1ucv s ILE 50 CO 0.00 -0.91 0.01 0.35 -0.10 0.00 0.00 174.94 174.29 1ucv n THR 51 N 7.18 0.05 -1.60 2.92 -2.24 -1.26 -4.05 114.28 115.28 1ucv n THR 51 Ca 0.20 -0.04 -0.53 0.00 -2.27 0.00 0.00 64.05 61.41 1ucv n THR 51 Cb 0.51 -0.58 -0.07 0.00 -2.10 0.00 0.00 70.33 68.10 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 -1.90 2.54 -0.29 3.22 4.77 -1.26 -4.61 117.00 119.47 1ucv n LEU 52 Ca -0.01 0.81 0.06 0.00 -0.03 0.00 0.00 56.01 56.84 1ucv n LEU 52 Cb 0.39 -1.24 0.16 0.00 -2.33 0.00 0.00 43.42 40.41 1ucv n LEU 52 CO 0.02 -0.45 0.77 0.24 -1.33 0.00 0.00 177.39 176.64 1ucv h MET 53 N 9.60 0.04 -0.73 3.23 2.86 -1.97 0.98 114.93 128.94 1ucv h MET 53 Ca -0.40 -0.00 0.21 0.00 -2.06 0.00 0.00 59.70 57.45 1ucv h MET 53 Cb 1.31 -0.01 -0.03 0.00 0.06 0.00 0.00 31.60 32.93 1ucv h MET 53 CO 0.98 0.03 0.52 0.78 1.06 0.00 0.00 176.91 180.28 1ucv h GLY 54 N 0.04 0.10 0.00 8.32 0.00 -2.00 -1.53 103.07 107.99 1ucv h GLY 54 Ca 0.45 -0.02 0.00 0.00 0.00 0.00 0.00 47.33 47.75 1ucv h GLY 54 CO -0.80 0.00 -0.57 1.42 0.00 0.00 0.00 176.54 176.59 1ucv n HIS 55 N -4.34 0.20 -0.29 5.60 8.25 0.28 -4.07 115.22 120.85 1ucv n HIS 55 Ca 0.15 0.09 0.13 0.00 -0.26 0.00 0.00 57.72 57.83 1ucv n HIS 55 Cb 0.77 -0.42 0.26 0.00 1.12 0.00 0.00 29.99 31.72 1ucv n HIS 55 CO 0.00 0.00 0.00 1.04 0.64 0.00 0.00 176.34 178.02 1ucv n GLN 56 N -3.83 -0.07 -0.26 -0.41 6.02 0.19 0.21 117.38 119.23 1ucv n GLN 56 Ca -0.08 1.25 -0.04 0.00 -0.01 0.00 0.00 57.00 58.12 1ucv n GLN 56 Cb 0.30 -2.00 0.06 0.00 1.02 0.00 0.00 30.24 29.62 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 0.93 0.70 -1.09 1.79 -1.47 0.63 116.57 118.07 1ucv h LYS 57 Ca 0.52 -0.06 -0.03 0.00 -2.18 0.00 0.00 60.65 58.90 1ucv h LYS 57 Cb 1.10 -0.21 0.01 0.00 -1.58 0.00 0.00 32.23 31.54 1ucv h LYS 57 CO -0.78 0.62 -0.34 0.87 -1.08 0.00 0.00 179.45 178.74 1ucv h LYS 58 N 0.96 -0.91 -0.38 3.15 6.56 0.23 0.46 116.57 126.64 1ucv h LYS 58 Ca 0.27 0.06 0.08 0.00 -1.06 0.00 0.00 60.65 60.00 1ucv h LYS 58 Cb -0.08 0.21 -0.08 0.00 -0.57 0.00 0.00 32.23 31.70 1ucv h LYS 58 CO -0.07 -0.61 -0.16 0.82 -2.06 0.00 0.00 179.45 177.38 1ucv h ILE 59 N -1.19 0.49 0.59 1.86 2.04 -1.09 0.60 117.51 120.81 1ucv h ILE 59 Ca -0.10 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 65.73 1ucv h ILE 59 Cb 0.73 0.49 0.01 0.00 -0.74 0.00 0.00 36.82 37.30 1ucv h ILE 59 CO 0.16 0.00 -0.28 -0.07 0.00 0.00 0.00 178.15 177.95 1ucv h LEU 60 N -0.08 -0.67 -1.94 1.44 4.07 -0.91 -2.17 115.31 115.04 1ucv h LEU 60 Ca 0.19 -0.03 0.15 0.00 0.08 0.00 0.00 57.88 58.26 1ucv h LEU 60 Cb 0.37 0.17 -0.02 0.00 1.08 0.00 0.00 40.66 42.26 1ucv h LEU 60 CO -0.44 -0.35 0.38 1.23 -1.08 0.00 0.00 178.44 178.18 1ucv h GLY 61 N -1.01 0.10 2.00 0.83 0.00 0.20 0.15 103.07 105.34 1ucv h GLY 61 Ca -0.08 -0.03 -0.13 0.00 0.00 0.00 0.00 47.33 47.09 1ucv h GLY 61 CO 0.13 0.01 -0.62 0.23 0.00 0.00 0.00 176.54 176.29 1ucv h SER 62 N 0.06 0.00 0.03 0.19 0.87 0.38 -3.26 113.55 111.82 1ucv h SER 62 Ca 0.26 0.00 -0.06 0.00 -1.23 0.00 0.00 61.79 60.76 1ucv h SER 62 Cb 0.94 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.90 1ucv h SER 62 CO -0.02 0.62 -0.30 0.40 -0.53 0.00 0.00 176.83 177.01 1ucv h ILE 63 N 0.00 1.65 -1.45 2.23 2.04 -0.13 -2.94 117.51 118.91 1ucv h ILE 63 Ca -0.01 -2.37 0.42 0.00 1.00 0.00 0.00 64.86 63.91 1ucv h ILE 63 Cb 1.17 3.23 -0.07 0.00 -0.74 0.00 0.00 36.82 40.41 1ucv h ILE 63 CO 0.08 0.60 1.03 0.06 0.00 0.00 0.00 178.15 179.92 1ucv h GLN 64 N -0.88 0.03 0.00 2.37 -0.00 -1.14 1.21 115.11 116.70 1ucv h GLN 64 Ca -0.07 -0.00 -0.20 0.00 -0.00 0.00 0.00 58.65 58.38 1ucv h GLN 64 Cb 1.16 -0.01 -0.03 0.00 -0.00 0.00 0.00 27.48 28.60 1ucv h GLN 64 CO 0.01 0.02 -1.44 0.00 -0.00 0.00 0.00 178.83 177.41 1ucv h THR 65 N 0.03 0.63 -0.17 1.86 1.03 -1.64 -2.91 112.91 111.75 1ucv h THR 65 Ca 0.71 -2.23 -0.13 0.00 -0.01 0.00 0.00 66.41 64.75 1ucv h THR 65 Cb 2.74 2.17 -0.01 0.00 -1.07 0.00 0.00 68.15 71.98 1ucv h THR 65 CO -0.06 0.36 -0.47 0.24 -0.01 0.00 0.00 175.52 175.58 1ucv h MET 66 N 0.00 0.43 0.00 0.00 2.86 0.16 -3.13 114.93 115.25 1ucv h MET 66 Ca -0.19 -0.24 -0.21 0.00 -2.06 0.00 0.00 59.70 57.01 1ucv h MET 66 Cb 1.70 0.01 -0.03 0.00 0.06 0.00 0.00 31.60 33.34 1ucv h MET 66 CO 0.06 0.81 -1.34 0.07 1.06 0.00 0.00 176.91 177.57 1ucv h ARG 67 N 0.35 0.00 -0.76 1.72 0.11 -1.20 -3.36 114.38 111.24 1ucv h ARG 67 Ca 0.02 0.00 0.15 0.00 0.10 0.00 0.00 59.98 60.25 1ucv h ARG 67 Cb 0.96 0.00 -0.10 0.00 1.11 0.00 0.00 29.97 31.94 1ucv h ARG 67 CO 0.08 0.48 0.30 0.00 0.10 0.00 0.00 179.97 180.93 1ucv h ALA 68 N 1.24 1.08 -0.53 0.08 0.00 -1.45 -0.75 119.26 118.93 1ucv h ALA 68 Ca -0.16 0.12 -0.03 0.00 0.00 0.00 0.00 54.91 54.84 1ucv h ALA 68 Cb 1.73 0.09 -0.02 0.00 0.00 0.00 0.00 17.79 19.59 1ucv h ALA 68 CO 0.07 -0.22 0.22 -0.56 0.00 0.00 0.00 179.25 178.77 1ucv h GLN 69 N 0.44 0.78 -0.16 0.00 3.07 -1.70 -2.34 115.11 115.20 1ucv h GLN 69 Ca 0.42 -0.13 0.05 0.00 0.09 0.00 0.00 58.65 59.08 1ucv h GLN 69 Cb 0.65 -0.13 -0.06 0.00 0.08 0.00 0.00 27.48 28.02 1ucv h GLN 69 CO -0.41 0.67 -0.24 -0.07 0.09 0.00 0.00 178.83 178.87 1ucv h LEU 70 N 0.71 -0.76 -1.20 0.06 4.07 -1.31 0.12 115.31 116.99 1ucv h LEU 70 Ca 0.18 0.13 0.00 0.00 0.08 0.00 0.00 57.88 58.26 1ucv h LEU 70 Cb 0.18 0.34 0.00 0.00 1.08 0.00 0.00 40.66 42.26 1ucv h LEU 70 CO -0.02 -0.29 0.00 0.35 -1.08 0.00 0.00 178.44 177.40 1ucv n THR 71 N -5.37 0.36 -3.40 0.22 -2.24 -0.90 -5.00 114.28 97.95 1ucv n THR 71 Ca -0.02 -0.19 0.00 0.00 -2.27 0.00 0.00 64.05 61.56 1ucv n THR 71 Cb 0.29 -0.37 -0.00 0.00 -2.10 0.00 0.00 70.33 68.14 1ucv n THR 71 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1ucv n SER 72 N 0.04 -4.15 -0.59 3.42 7.64 0.41 -3.62 113.62 116.77 1ucv n SER 72 Ca 0.04 0.02 0.07 0.00 1.01 0.00 0.00 58.87 60.00 1ucv n SER 72 Cb 0.34 -0.05 0.20 0.00 -1.01 0.00 0.00 64.21 63.69 1ucv n SER 72 CO 0.00 0.00 0.00 1.07 -3.01 0.00 0.00 175.04 173.10 1ucv n THR 73 N -1.40 0.38 -0.07 0.44 5.66 -1.26 -4.37 114.28 113.66 1ucv n THR 73 Ca 0.00 -0.41 -0.11 0.00 -3.05 0.00 0.00 64.05 60.48 1ucv n THR 73 Cb 0.01 0.24 -0.05 0.00 -1.55 0.00 0.00 70.33 68.98 1ucv n THR 73 CO 0.00 0.00 0.00 -0.61 -3.05 0.00 0.00 175.07 171.41 1ucv h GLN 74 N 1.96 -0.38 -5.47 1.09 4.15 -1.92 -3.37 115.11 111.17 1ucv h GLN 74 Ca 0.00 0.03 -0.49 0.00 0.77 0.00 0.00 58.65 58.95 1ucv h GLN 74 Cb 0.44 0.09 -0.02 0.00 0.21 0.00 0.00 27.48 28.20 1ucv h GLN 74 CO 0.00 -0.25 1.65 0.41 -1.93 0.00 0.00 178.83 178.71 1ucv n GLY 75 N -1.42 0.03 0.09 2.39 0.00 -1.26 -4.78 105.19 100.23 1ucv n GLY 75 Ca -0.02 0.83 -0.17 0.00 0.00 0.00 0.00 46.02 46.66 1ucv n GLY 75 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 1ucv h SER 76 N 16.60 0.00 -4.35 1.61 0.87 -1.98 -3.51 113.55 122.80 1ucv h SER 76 Ca -0.19 -0.63 0.00 0.00 -1.23 0.00 0.00 61.79 59.74 1ucv h SER 76 Cb 1.29 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.25 1ucv h SER 76 CO 1.21 1.24 0.00 0.61 -0.53 0.00 0.00 176.83 179.36 1ucv n GLY 77 N 1.52 4.05 0.36 5.77 0.00 -1.26 -4.91 105.19 110.72 1ucv n GLY 77 Ca -0.22 -1.63 0.13 0.00 0.00 0.00 0.00 46.02 44.30 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 0.75 -6.07 1.61 0.11 -2.03 -3.41 132.00 122.95 1ucv h PRO 78 Ca 0.00 -0.04 -0.66 0.00 0.11 0.00 0.00 66.00 65.41 1ucv h PRO 78 Cb 0.00 -0.17 -0.11 0.00 0.11 0.00 0.00 31.00 30.83 1ucv h PRO 78 CO 0.00 0.49 -0.60 -1.54 -0.21 0.00 0.00 178.00 176.14 1ucv s SER 79 N -5.50 5.45 -0.49 -2.05 1.04 -1.26 -5.08 113.70 105.81 1ucv s SER 79 Ca -0.11 0.07 -0.22 0.00 0.48 0.00 0.00 55.95 56.18 1ucv s SER 79 Cb 0.24 -1.51 0.04 0.00 0.10 0.00 0.00 66.02 64.90 1ucv s SER 79 CO 0.80 0.27 0.75 -0.94 0.98 0.00 0.00 173.24 175.10 1ucv s SER 80 N -1.71 6.32 0.00 7.02 1.04 -1.26 -5.05 113.70 120.05 1ucv s SER 80 Ca 0.22 -0.46 0.00 0.00 0.48 0.00 0.00 55.95 56.19 1ucv s SER 80 Cb -0.12 -2.36 0.00 0.00 0.10 0.00 0.00 66.02 63.64 1ucv s SER 80 CO 0.13 -0.97 0.00 0.61 0.98 0.00 0.00 173.24 173.99