#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ucv n SER 2 N 0.00 -4.83 -4.18 1.61 7.64 -1.26 -4.98 113.62 107.62 1ucv n SER 2 Ca 0.00 -0.49 -0.38 0.00 1.01 0.00 0.00 58.87 59.01 1ucv n SER 2 Cb 0.00 -4.46 -0.11 0.00 -1.01 0.00 0.00 64.21 58.64 1ucv n SER 2 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1ucv s SER 3 N -3.51 5.42 -0.19 6.43 1.04 -1.26 -5.04 113.70 116.59 1ucv s SER 3 Ca 0.38 -1.81 -0.07 0.00 0.48 0.00 0.00 55.95 54.93 1ucv s SER 3 Cb -0.17 -1.90 0.09 0.00 0.10 0.00 0.00 66.02 64.14 1ucv s SER 3 CO 0.63 -0.55 0.41 -0.83 0.98 0.00 0.00 173.24 173.88 1ucv s GLY 4 N 2.05 -0.35 0.39 7.32 0.00 -1.26 -5.16 107.32 110.31 1ucv s GLY 4 Ca 0.05 1.48 0.08 0.00 0.00 0.00 0.00 44.72 46.33 1ucv s GLY 4 CO -0.02 2.37 0.53 -0.45 0.00 0.00 0.00 173.10 175.54 1ucv s SER 5 N 2.57 5.73 0.35 1.64 0.15 -1.26 -5.10 113.70 117.78 1ucv s SER 5 Ca -0.02 -0.36 -0.20 0.00 0.70 0.00 0.00 55.95 56.07 1ucv s SER 5 Cb -0.12 -0.84 -0.10 0.00 -1.71 0.00 0.00 66.02 63.26 1ucv s SER 5 CO -0.13 -0.65 0.86 -0.94 1.20 0.00 0.00 173.24 173.58 1ucv s SER 6 N -4.29 6.99 -0.01 5.45 1.04 -1.26 -4.60 113.70 117.03 1ucv s SER 6 Ca 0.52 1.57 -0.00 0.00 0.48 0.00 0.00 55.95 58.51 1ucv s SER 6 Cb -0.10 -2.49 0.00 0.00 0.10 0.00 0.00 66.02 63.54 1ucv s SER 6 CO 0.32 -0.20 0.01 0.61 0.98 0.00 0.00 173.24 174.95 1ucv n GLY 7 N -0.13 -0.52 3.51 7.32 0.00 -1.26 -5.10 105.19 109.00 1ucv n GLY 7 Ca 0.04 -0.14 -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 -0.73 0.00 -4.70 0.99 -0.00 -1.26 -5.12 117.00 106.18 1ucv n LEU 8 Ca 0.00 -2.54 -0.31 0.00 -0.00 0.00 0.00 56.01 53.15 1ucv n LEU 8 Cb 0.23 -0.13 -0.08 0.00 -0.00 0.00 0.00 43.42 43.44 1ucv n LEU 8 CO 0.01 -0.59 -0.32 0.28 -0.00 0.00 0.00 177.39 176.77 1ucv s THR 9 N -2.45 4.17 0.50 1.47 -1.32 -1.26 -4.14 115.64 112.60 1ucv s THR 9 Ca 0.35 -0.80 0.34 0.00 -1.21 0.00 0.00 61.69 60.38 1ucv s THR 9 Cb -0.03 -2.94 0.51 0.00 -1.51 0.00 0.00 72.50 68.53 1ucv s THR 9 CO 0.22 0.22 1.25 0.52 -2.21 0.00 0.00 174.62 174.62 1ucv n VAL 10 N 0.86 0.00 0.03 5.08 0.31 -1.26 0.65 118.33 124.00 1ucv n VAL 10 Ca -0.12 1.20 -0.11 0.00 -0.01 0.00 0.00 64.34 65.31 1ucv n VAL 10 Cb 0.52 -2.07 -0.08 0.00 -0.91 0.00 0.00 33.84 31.30 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 -0.18 -0.25 2.92 0.00 -1.90 -2.66 103.07 101.01 1ucv h GLY 11 Ca 0.64 0.06 0.03 0.00 0.00 0.00 0.00 47.33 48.07 1ucv h GLY 11 CO -0.01 -0.06 -0.41 -0.55 0.00 0.00 0.00 176.54 175.51 1ucv h ASP 12 N -0.85 -1.34 0.20 0.19 5.19 -0.17 0.45 116.42 120.09 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 0.55 0.54 -0.02 0.00 0.18 0.00 0.00 39.33 40.58 1ucv h ASP 12 CO 0.03 -0.31 -0.36 -0.25 -3.12 0.00 0.00 179.24 175.23 1ucv h TRP 13 N -0.33 -1.02 -1.19 4.55 7.01 -1.68 -1.38 115.95 121.92 1ucv h TRP 13 Ca 0.05 0.02 0.35 0.00 2.11 0.00 0.00 58.89 61.41 1ucv h TRP 13 Cb 0.45 0.42 -0.10 0.00 -2.10 0.00 0.00 29.16 27.83 1ucv h TRP 13 CO -0.66 -0.44 0.79 -0.07 -2.79 0.00 0.00 178.44 175.27 1ucv h LEU 14 N -0.60 0.29 -1.40 0.65 3.38 -1.22 0.75 115.31 117.16 1ucv h LEU 14 Ca -0.02 0.08 0.02 0.00 0.09 0.00 0.00 57.88 58.05 1ucv h LEU 14 Cb 0.56 0.05 -0.03 0.00 0.09 0.00 0.00 40.66 41.32 1ucv h LEU 14 CO -0.13 -0.02 0.42 -0.78 0.09 0.00 0.00 178.44 178.03 1ucv h ASP 15 N 0.21 0.68 -0.86 -0.43 3.58 0.10 0.27 116.42 119.98 1ucv h ASP 15 Ca 0.68 -0.01 0.04 0.00 0.42 0.00 0.00 57.03 58.16 1ucv h ASP 15 Cb 2.06 -0.16 -0.05 0.00 1.72 0.00 0.00 39.33 42.90 1ucv h ASP 15 CO -0.28 0.48 0.55 0.28 -2.88 0.00 0.00 179.24 177.39 1ucv h SER 16 N 0.80 0.89 -0.39 2.28 0.02 0.79 -0.51 113.55 117.43 1ucv h SER 16 Ca 0.25 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.20 1ucv h SER 16 Cb 0.01 -0.19 0.00 0.00 0.14 0.00 0.00 62.40 62.36 1ucv h SER 16 CO -0.06 0.60 0.00 2.30 -1.14 0.00 0.00 176.83 178.53 1ucv n ILE 17 N -4.57 1.35 -3.11 3.27 -5.35 -0.78 -4.89 119.36 105.28 1ucv n ILE 17 Ca 0.11 -0.79 -0.22 0.00 -0.27 0.00 0.00 62.75 61.58 1ucv n ILE 17 Cb 0.12 -0.14 0.02 0.00 -1.74 0.00 0.00 39.64 37.90 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 0.55 -4.20 -0.00 6.28 5.12 -0.20 -4.83 116.66 119.37 1ucv n ARG 18 Ca 0.17 0.74 0.00 0.00 -1.93 0.00 0.00 57.85 56.83 1ucv n ARG 18 Cb 0.69 -5.53 0.00 0.00 -1.16 0.00 0.00 32.46 26.46 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 -3.86 -0.28 0.28 5.56 2.81 0.88 -4.69 117.12 117.83 1ucv n MET 19 Ca -0.08 -0.70 0.10 0.00 -1.81 0.00 0.00 57.70 55.20 1ucv n MET 19 Cb 0.59 -1.01 0.51 0.00 -0.71 0.00 0.00 33.22 32.60 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 0.14 0.00 2.00 3.03 0.00 -1.63 0.19 103.07 106.80 1ucv h GLY 20 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.33 1ucv h GLY 20 CO 0.00 0.00 -0.02 0.07 0.00 0.00 0.00 176.54 176.59 1ucv h ARG 21 N 0.00 0.00 -0.00 4.80 0.11 -1.89 0.27 114.38 117.67 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 0.90 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.98 1ucv h ARG 21 CO 0.00 0.02 -0.52 0.66 0.10 0.00 0.00 179.97 180.23 1ucv n TYR 22 N -4.13 0.00 -0.30 4.08 4.01 0.67 -4.26 117.16 117.23 1ucv n TYR 22 Ca -0.03 0.00 0.13 0.00 -0.16 0.00 0.00 57.90 57.84 1ucv n TYR 22 Cb 0.10 -0.20 0.28 0.00 -0.31 0.00 0.00 39.34 39.22 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 0.25 0.17 -0.67 -0.72 0.11 -1.02 0.93 114.38 113.41 1ucv h ARG 23 Ca 0.00 -0.01 0.15 0.00 0.10 0.00 0.00 59.98 60.22 1ucv h ARG 23 Cb 0.51 -0.04 -0.04 0.00 1.11 0.00 0.00 29.97 31.51 1ucv h ARG 23 CO 0.00 0.11 0.46 -0.44 0.10 0.00 0.00 179.97 180.20 1ucv h ASP 24 N 0.17 0.25 0.12 0.08 3.32 -1.74 -1.85 116.42 116.78 1ucv h ASP 24 Ca 0.55 0.01 -0.01 0.00 0.02 0.00 0.00 57.03 57.61 1ucv h ASP 24 Cb 1.11 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 40.63 1ucv h ASP 24 CO -0.69 0.13 -0.06 0.45 -1.72 0.00 0.00 179.24 177.36 1ucv h HIS 25 N 0.27 -0.15 -0.75 4.55 3.86 0.60 -3.11 115.15 120.42 1ucv h HIS 25 Ca 0.33 -0.00 0.17 0.00 -1.16 0.00 0.00 60.37 59.70 1ucv h HIS 25 Cb 0.90 0.05 -0.13 0.00 1.06 0.00 0.00 27.41 29.29 1ucv h HIS 25 CO -0.00 0.13 0.05 0.74 0.86 0.00 0.00 177.93 179.71 1ucv h PHE 26 N -0.44 0.03 -0.25 2.45 -1.00 -1.17 0.79 116.94 117.34 1ucv h PHE 26 Ca -0.02 0.05 0.07 0.00 2.81 0.00 0.00 57.97 60.89 1ucv h PHE 26 Cb 0.36 0.11 -0.01 0.00 3.61 0.00 0.00 35.95 40.01 1ucv h PHE 26 CO 0.02 -0.21 0.21 0.00 -1.61 0.00 0.00 178.31 176.71 1ucv h ALA 27 N 1.69 2.09 0.12 2.45 0.00 -0.93 0.45 119.26 125.14 1ucv h ALA 27 Ca 0.42 -0.01 -0.28 0.00 0.00 0.00 0.00 54.91 55.04 1ucv h ALA 27 Cb 0.74 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.55 1ucv h ALA 27 CO -0.63 -0.34 -1.30 0.00 0.00 0.00 0.00 179.25 176.97 1ucv h ALA 28 N 1.82 0.14 0.00 0.00 0.00 0.59 -3.24 119.26 118.57 1ucv h ALA 28 Ca 0.12 -0.94 0.00 0.00 0.00 0.00 0.00 54.91 54.09 1ucv h ALA 28 Cb 0.54 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.40 1ucv h ALA 28 CO -0.00 1.02 0.00 0.41 0.00 0.00 0.00 179.25 180.68 1ucv n GLY 29 N 1.56 -0.95 0.79 0.00 0.00 -0.33 -4.81 105.19 101.44 1ucv n GLY 29 Ca -0.10 -0.07 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 0.62 0.77 2.98 -0.02 0.00 -0.98 -5.05 105.19 103.51 1ucv n GLY 30 Ca 0.08 -0.27 -0.31 0.00 0.00 0.00 0.00 46.02 45.52 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 3.40 -0.52 1.61 1.51 0.15 -4.91 117.35 116.59 1ucv s TYR 31 Ca 0.00 -2.75 0.06 0.00 -1.01 0.00 0.00 57.07 53.36 1ucv s TYR 31 Cb 0.00 -2.66 0.16 0.00 -0.11 0.00 0.00 41.96 39.35 1ucv s TYR 31 CO 0.00 -0.93 1.13 0.45 -1.11 0.00 0.00 175.55 175.08 1ucv n SER 32 N 4.36 2.48 -4.06 2.29 2.88 -1.26 -1.03 113.62 119.27 1ucv n SER 32 Ca 0.02 -1.98 -0.10 0.00 -1.33 0.00 0.00 58.87 55.48 1ucv n SER 32 Cb 0.42 -0.12 -0.08 0.00 -0.75 0.00 0.00 64.21 63.68 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 -0.98 0.05 -0.03 -3.46 0.01 -1.26 -4.36 113.70 103.66 1ucv s SER 33 Ca 0.13 -1.07 -0.22 0.00 1.31 0.00 0.00 55.95 56.10 1ucv s SER 33 Cb 0.07 0.46 -0.27 0.00 0.21 0.00 0.00 66.02 66.49 1ucv s SER 33 CO 0.09 -0.95 0.99 -0.07 0.41 0.00 0.00 173.24 173.71 1ucv h LEU 34 N 2.50 0.43 -1.91 2.44 -0.00 -1.91 -3.01 115.31 113.84 1ucv h LEU 34 Ca -0.31 -0.85 0.48 0.00 -0.00 0.00 0.00 57.88 57.20 1ucv h LEU 34 Cb 1.24 -0.13 -0.08 0.00 -0.00 0.00 0.00 40.66 41.69 1ucv h LEU 34 CO 0.46 1.24 1.17 1.23 -0.00 0.00 0.00 178.44 182.54 1ucv h GLY 35 N -0.32 0.20 0.50 0.83 0.00 -1.98 1.75 103.07 104.05 1ucv h GLY 35 Ca -0.09 -0.02 -0.02 0.00 0.00 0.00 0.00 47.33 47.20 1ucv h GLY 35 CO 0.11 -0.06 -1.53 1.15 0.00 0.00 0.00 176.54 176.22 1ucv n MET 36 N -4.12 0.63 0.08 4.80 -0.00 -1.23 -4.22 117.12 113.06 1ucv n MET 36 Ca 0.38 -0.03 -0.16 0.00 -0.00 0.00 0.00 57.70 57.89 1ucv n MET 36 Cb 1.70 -1.67 -0.08 0.00 -0.00 0.00 0.00 33.22 33.16 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 0.00 1.40 0.00 3.17 2.07 0.27 -3.15 116.25 120.00 1ucv h VAL 37 Ca -0.02 -2.57 -0.00 0.00 0.82 0.00 0.00 66.70 64.93 1ucv h VAL 37 Cb 1.06 2.57 -0.00 0.00 -1.52 0.00 0.00 31.29 33.40 1ucv h VAL 37 CO 0.00 0.77 -0.00 -0.07 0.02 0.00 0.00 177.57 178.29 1ucv h LEU 38 N 0.21 0.00 -3.20 2.57 -0.00 -0.98 0.62 115.31 114.53 1ucv h LEU 38 Ca -0.11 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.77 1ucv h LEU 38 Cb 1.72 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 42.38 1ucv h LEU 38 CO 0.19 0.00 0.00 -2.11 -0.00 0.00 0.00 178.44 176.52 1ucv n ARG 39 N -3.15 3.55 -2.97 1.13 1.85 -1.19 -4.82 116.66 111.05 1ucv n ARG 39 Ca -0.03 -2.78 -0.21 0.00 -1.00 0.00 0.00 57.85 53.83 1ucv n ARG 39 Cb 0.10 -1.83 0.02 0.00 -1.05 0.00 0.00 32.46 29.69 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 -2.11 2.92 0.30 2.89 -1.94 0.21 -5.09 119.30 116.48 1ucv s MET 40 Ca 0.45 -0.70 -0.13 0.00 -1.71 0.00 0.00 55.69 53.60 1ucv s MET 40 Cb 0.31 -2.60 0.02 0.00 2.01 0.00 0.00 34.83 34.57 1ucv s MET 40 CO 0.17 -0.33 0.60 0.54 -0.01 0.00 0.00 175.02 175.99 1ucv s ASN 41 N -4.27 0.08 0.32 3.03 4.22 -1.26 -4.94 114.94 112.12 1ucv s ASN 41 Ca 0.51 -1.02 0.06 0.00 -2.14 0.00 0.00 52.86 50.27 1ucv s ASN 41 Cb -0.10 0.69 0.88 0.00 1.28 0.00 0.00 41.25 44.00 1ucv s ASN 41 CO 0.37 -1.34 1.58 0.00 -2.04 0.00 0.00 177.10 175.66 1ucv h ALA 42 N 2.12 1.38 -0.30 3.54 0.00 -1.97 0.49 119.26 124.52 1ucv h ALA 42 Ca -0.26 0.32 0.07 0.00 0.00 0.00 0.00 54.91 55.04 1ucv h ALA 42 Cb 1.25 0.53 -0.07 0.00 0.00 0.00 0.00 17.79 19.50 1ucv h ALA 42 CO 0.35 -0.65 -0.18 0.37 0.00 0.00 0.00 179.25 179.14 1ucv h GLN 43 N 0.02 -0.14 0.12 0.00 4.15 -1.99 0.33 115.11 117.59 1ucv h GLN 43 Ca 0.65 0.01 -0.01 0.00 0.77 0.00 0.00 58.65 60.07 1ucv h GLN 43 Cb 1.44 0.03 0.00 0.00 0.21 0.00 0.00 27.48 29.16 1ucv h GLN 43 CO -0.88 -0.09 -0.06 -0.44 -1.93 0.00 0.00 178.83 175.43 1ucv h ASP 44 N -0.14 -0.13 -0.38 -0.69 3.32 -0.63 -3.26 116.42 114.52 1ucv h ASP 44 Ca 0.16 -0.43 0.07 0.00 0.02 0.00 0.00 57.03 56.85 1ucv h ASP 44 Cb 0.38 0.03 -0.09 0.00 0.22 0.00 0.00 39.33 39.88 1ucv h ASP 44 CO -0.39 0.43 -0.37 0.58 -1.72 0.00 0.00 179.24 177.77 1ucv h VAL 45 N -0.77 0.18 -0.91 -1.35 2.07 -0.30 -0.48 116.25 114.69 1ucv h VAL 45 Ca -0.02 0.00 0.24 0.00 0.82 0.00 0.00 66.70 67.74 1ucv h VAL 45 Cb 0.55 0.18 -0.16 0.00 -1.52 0.00 0.00 31.29 30.34 1ucv h VAL 45 CO 0.03 0.00 0.07 -0.09 0.02 0.00 0.00 177.57 177.60 1ucv h ARG 46 N -0.30 0.07 -0.78 1.57 1.12 -0.46 1.00 114.38 116.61 1ucv h ARG 46 Ca 0.15 -0.00 0.12 0.00 -1.11 0.00 0.00 59.98 59.14 1ucv h ARG 46 Cb 0.56 -0.02 -0.05 0.00 -0.01 0.00 0.00 29.97 30.45 1ucv h ARG 46 CO -0.54 0.05 0.51 0.00 -3.11 0.00 0.00 179.97 176.88 1ucv h ALA 47 N 1.87 1.91 -0.10 2.80 0.00 -1.12 0.76 119.26 125.38 1ucv h ALA 47 Ca 0.55 -0.00 0.03 0.00 0.00 0.00 0.00 54.91 55.49 1ucv h ALA 47 Cb 1.09 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.77 1ucv h ALA 47 CO -0.80 -0.10 0.08 -0.07 0.00 0.00 0.00 179.25 178.36 1ucv h LEU 48 N 0.59 0.00 0.00 0.00 3.38 0.12 -3.46 115.31 115.94 1ucv h LEU 48 Ca 0.38 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.35 1ucv h LEU 48 Cb 0.64 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.39 1ucv h LEU 48 CO -0.14 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.00 1ucv n GLY 49 N -1.52 1.67 3.57 0.83 0.00 0.26 -4.80 105.19 105.19 1ucv n GLY 49 Ca -0.01 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.61 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 -1.54 3.55 -0.01 -0.61 1.09 -1.26 -4.72 121.20 117.72 1ucv s ILE 50 Ca 0.00 0.42 0.02 0.00 -1.10 0.00 0.00 60.65 59.99 1ucv s ILE 50 Cb 0.00 -4.15 -0.03 0.00 -1.06 0.00 0.00 42.46 37.22 1ucv s ILE 50 CO 0.00 -1.01 0.03 0.35 -0.10 0.00 0.00 174.94 174.22 1ucv n THR 51 N 7.05 0.03 -1.44 2.92 -2.24 -1.26 -4.24 114.28 115.09 1ucv n THR 51 Ca 0.16 -0.05 -0.49 0.00 -2.27 0.00 0.00 64.05 61.40 1ucv n THR 51 Cb 0.50 0.15 -0.08 0.00 -2.10 0.00 0.00 70.33 68.81 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 -1.67 1.90 -0.26 3.22 7.99 -1.26 -4.65 117.00 122.27 1ucv n LEU 52 Ca -0.01 0.34 0.07 0.00 -0.01 0.00 0.00 56.01 56.39 1ucv n LEU 52 Cb 0.16 -1.24 0.14 0.00 -0.11 0.00 0.00 43.42 42.37 1ucv n LEU 52 CO 0.04 -0.80 0.52 0.23 -1.51 0.00 0.00 177.39 175.87 1ucv n MET 53 N 8.24 -0.06 0.06 3.23 2.81 -1.26 0.88 117.12 131.01 1ucv n MET 53 Ca 0.44 1.13 -0.11 0.00 -1.81 0.00 0.00 57.70 57.35 1ucv n MET 53 Cb 0.22 -1.73 -0.05 0.00 -0.71 0.00 0.00 33.22 30.95 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 -0.15 0.50 3.03 0.00 -2.00 -1.31 103.07 103.13 1ucv h GLY 54 Ca 0.39 0.14 -0.02 0.00 0.00 0.00 0.00 47.33 47.84 1ucv h GLY 54 CO -0.73 -0.12 -0.19 0.45 0.00 0.00 0.00 176.54 175.94 1ucv h HIS 55 N -0.21 -0.49 -1.18 5.60 3.86 0.13 -2.98 115.15 119.88 1ucv h HIS 55 Ca 0.04 -0.01 0.40 0.00 -1.16 0.00 0.00 60.37 59.64 1ucv h HIS 55 Cb 0.26 0.16 -0.14 0.00 1.06 0.00 0.00 27.41 28.75 1ucv h HIS 55 CO -0.18 -0.20 0.72 1.96 0.86 0.00 0.00 177.93 181.10 1ucv h GLN 56 N -1.04 0.12 -0.44 2.45 4.20 -0.02 0.95 115.11 121.34 1ucv h GLN 56 Ca -0.05 -0.01 -0.10 0.00 0.06 0.00 0.00 58.65 58.55 1ucv h GLN 56 Cb 0.51 -0.03 -0.01 0.00 0.30 0.00 0.00 27.48 28.25 1ucv h GLN 56 CO 0.09 0.08 -0.10 0.87 -0.67 0.00 0.00 178.83 179.10 1ucv h LYS 57 N 0.13 0.84 0.94 1.46 1.57 -1.22 -1.55 116.57 118.73 1ucv h LYS 57 Ca 0.80 -0.32 -0.04 0.00 -1.87 0.00 0.00 60.65 59.22 1ucv h LYS 57 Cb 2.29 -0.05 0.01 0.00 0.08 0.00 0.00 32.23 34.56 1ucv h LYS 57 CO -0.53 0.95 -0.47 0.87 -0.57 0.00 0.00 179.45 179.70 1ucv h LYS 58 N 0.67 -1.24 0.41 3.15 6.56 0.11 0.76 116.57 126.99 1ucv h LYS 58 Ca 0.11 0.08 -0.01 0.00 -1.06 0.00 0.00 60.65 59.77 1ucv h LYS 58 Cb 0.64 0.28 -0.01 0.00 -0.57 0.00 0.00 32.23 32.57 1ucv h LYS 58 CO 0.04 -0.83 -0.37 0.82 -2.06 0.00 0.00 179.45 177.05 1ucv h ILE 59 N -1.29 0.00 0.50 1.86 2.04 -1.44 0.17 117.51 119.35 1ucv h ILE 59 Ca -0.13 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.72 1ucv h ILE 59 Cb 1.00 0.00 -0.02 0.00 -0.74 0.00 0.00 36.82 37.05 1ucv h ILE 59 CO 0.19 0.00 -0.51 -0.07 0.00 0.00 0.00 178.15 177.76 1ucv h LEU 60 N -0.77 -1.41 -1.43 1.44 3.38 -1.34 -0.90 115.31 114.27 1ucv h LEU 60 Ca -0.05 0.11 0.27 0.00 0.09 0.00 0.00 57.88 58.30 1ucv h LEU 60 Cb 0.66 0.46 -0.09 0.00 0.09 0.00 0.00 40.66 41.78 1ucv h LEU 60 CO -0.03 -0.67 0.68 1.23 0.09 0.00 0.00 178.44 179.74 1ucv h GLY 61 N -1.02 1.08 1.22 0.83 0.00 0.56 0.26 103.07 106.01 1ucv h GLY 61 Ca -0.06 -0.18 -0.16 0.00 0.00 0.00 0.00 47.33 46.92 1ucv h GLY 61 CO -0.07 -0.12 -0.44 0.23 0.00 0.00 0.00 176.54 176.15 1ucv h SER 62 N 0.35 0.91 0.32 0.19 0.87 0.07 -3.18 113.55 113.08 1ucv h SER 62 Ca 0.59 -0.43 -0.02 0.00 -1.23 0.00 0.00 61.79 60.70 1ucv h SER 62 Cb 1.57 -0.26 0.00 0.00 -0.44 0.00 0.00 62.40 63.28 1ucv h SER 62 CO -0.27 1.21 -0.15 0.40 -0.53 0.00 0.00 176.83 177.49 1ucv h ILE 63 N 0.68 0.33 -1.83 2.23 2.04 0.74 -0.57 117.51 121.13 1ucv h ILE 63 Ca 0.04 -0.78 0.55 0.00 1.00 0.00 0.00 64.86 65.67 1ucv h ILE 63 Cb 1.02 0.55 -0.10 0.00 -0.74 0.00 0.00 36.82 37.55 1ucv h ILE 63 CO 0.10 0.08 1.29 0.00 0.00 0.00 0.00 178.15 179.62 1ucv n GLN 64 N -5.06 -0.01 -0.01 2.37 10.64 0.32 0.88 117.38 126.51 1ucv n GLN 64 Ca -0.07 1.13 -0.21 0.00 -1.83 0.00 0.00 57.00 56.01 1ucv n GLN 64 Cb 0.23 -2.50 -0.14 0.00 -0.86 0.00 0.00 30.24 26.98 1ucv n GLN 64 CO 0.00 0.00 0.00 -2.37 -1.83 0.00 0.00 177.06 172.86 1ucv n THR 65 N -4.13 1.75 0.01 -0.39 5.66 -1.20 -2.03 114.28 113.95 1ucv n THR 65 Ca 0.44 -0.59 0.10 0.00 -3.05 0.00 0.00 64.05 60.94 1ucv n THR 65 Cb 1.91 -1.76 0.52 0.00 -1.55 0.00 0.00 70.33 69.46 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 -0.04 0.33 0.06 1.09 2.86 0.22 -2.52 114.93 116.93 1ucv h MET 66 Ca -0.43 -0.02 -0.36 0.00 -2.06 0.00 0.00 59.70 56.84 1ucv h MET 66 Cb 1.96 -0.07 -0.04 0.00 0.06 0.00 0.00 31.60 33.50 1ucv h MET 66 CO 0.05 0.22 -2.09 2.89 1.06 0.00 0.00 176.91 179.04 1ucv n ARG 67 N -4.48 0.70 0.11 1.72 1.85 0.35 -4.12 116.66 112.79 1ucv n ARG 67 Ca 0.05 0.22 0.20 0.00 -1.00 0.00 0.00 57.85 57.32 1ucv n ARG 67 Cb 0.25 -1.66 0.75 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 0.33 2.07 0.02 2.89 0.00 -1.06 0.33 119.26 123.85 1ucv h ALA 68 Ca -0.44 -0.01 -0.22 0.00 0.00 0.00 0.00 54.91 54.23 1ucv h ALA 68 Cb 2.02 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 19.82 1ucv h ALA 68 CO 0.04 -0.63 -1.05 -0.56 0.00 0.00 0.00 179.25 177.05 1ucv h GLN 69 N 0.00 0.05 -0.84 0.00 3.07 -1.61 -3.34 115.11 112.44 1ucv h GLN 69 Ca 0.18 -0.08 0.23 0.00 0.09 0.00 0.00 58.65 59.08 1ucv h GLN 69 Cb 1.05 0.03 -0.16 0.00 0.08 0.00 0.00 27.48 28.48 1ucv h GLN 69 CO -0.00 1.03 0.02 1.28 0.09 0.00 0.00 178.83 181.24 1ucv n LEU 70 N -3.38 -0.10 -3.40 0.06 4.77 0.12 -3.73 117.00 111.34 1ucv n LEU 70 Ca -0.02 1.42 -0.17 0.00 -0.03 0.00 0.00 56.01 57.22 1ucv n LEU 70 Cb 0.96 -0.52 -0.10 0.00 -2.33 0.00 0.00 43.42 41.43 1ucv n LEU 70 CO 0.48 -1.44 -0.17 0.42 -1.33 0.00 0.00 177.39 175.35 1ucv s THR 71 N -5.79 -0.41 0.29 -5.08 -4.23 -1.25 -5.15 115.64 94.02 1ucv s THR 71 Ca -0.11 -0.48 0.07 0.00 -1.18 0.00 0.00 61.69 59.99 1ucv s THR 71 Cb 0.25 -0.99 -0.03 0.00 1.34 0.00 0.00 72.50 73.07 1ucv s THR 71 CO 0.65 -0.46 0.23 -0.44 -0.54 0.00 0.00 174.62 174.06 1ucv s SER 72 N 2.37 5.36 0.36 3.99 0.01 -1.24 -4.99 113.70 119.55 1ucv s SER 72 Ca 0.09 -0.39 -0.11 0.00 1.31 0.00 0.00 55.95 56.86 1ucv s SER 72 Cb -0.14 -1.18 -0.07 0.00 0.21 0.00 0.00 66.02 64.84 1ucv s SER 72 CO -0.33 -0.18 0.73 0.42 0.41 0.00 0.00 173.24 174.29 1ucv s THR 73 N -2.22 4.79 0.00 1.44 -4.23 -1.26 -4.93 115.64 109.22 1ucv s THR 73 Ca 0.36 0.65 0.00 0.00 -1.18 0.00 0.00 61.69 61.52 1ucv s THR 73 Cb -0.07 -3.69 0.00 0.00 1.34 0.00 0.00 72.50 70.08 1ucv s THR 73 CO 0.25 -0.39 0.00 0.00 -0.54 0.00 0.00 174.62 173.95 1ucv n GLN 74 N -0.95 -0.01 0.00 3.99 1.13 -1.26 -4.37 117.38 115.91 1ucv n GLN 74 Ca 0.02 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.09 1ucv n GLN 74 Cb 0.54 -0.01 0.00 0.00 0.11 0.00 0.00 30.24 30.88 1ucv n GLN 74 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1ucv n GLY 75 N -0.01 -0.17 1.38 1.08 0.00 -1.26 -4.66 105.19 101.54 1ucv n GLY 75 Ca 0.00 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.07 1ucv n GLY 75 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1ucv n SER 76 N -1.63 4.00 -3.93 1.61 2.88 -1.26 -4.94 113.62 110.35 1ucv n SER 76 Ca 0.00 -2.55 0.00 0.00 -1.33 0.00 0.00 58.87 54.99 1ucv n SER 76 Cb 0.00 -0.59 0.00 0.00 -0.75 0.00 0.00 64.21 62.87 1ucv n SER 76 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1ucv n GLY 77 N 0.53 -3.46 3.53 0.46 0.00 -1.26 -4.63 105.19 100.37 1ucv n GLY 77 Ca 0.18 -1.17 -0.25 0.00 0.00 0.00 0.00 46.02 44.78 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 -0.10 0.45 -4.38 1.61 -0.02 -1.26 -4.90 135.00 126.39 1ucv n PRO 78 Ca 0.00 -0.32 -0.32 0.00 -2.02 0.00 0.00 63.50 60.84 1ucv n PRO 78 Cb 0.00 -2.66 -0.10 0.00 -0.02 0.00 0.00 33.50 30.72 1ucv n PRO 78 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1ucv s SER 79 N 8.30 4.79 -0.21 2.55 0.15 -1.26 -4.89 113.70 123.13 1ucv s SER 79 Ca 1.10 -0.11 -0.08 0.00 0.70 0.00 0.00 55.95 57.56 1ucv s SER 79 Cb -0.49 -1.16 -0.04 0.00 -1.71 0.00 0.00 66.02 62.63 1ucv s SER 79 CO 0.30 0.27 0.08 -0.44 1.20 0.00 0.00 173.24 174.66 1ucv s SER 80 N -1.53 5.55 0.00 5.45 0.01 -1.26 -5.19 113.70 116.74 1ucv s SER 80 Ca 0.18 -0.00 0.18 0.00 1.31 0.00 0.00 55.95 57.62 1ucv s SER 80 Cb -0.11 -1.97 1.07 0.00 0.21 0.00 0.00 66.02 65.22 1ucv s SER 80 CO 0.09 0.10 1.47 0.61 0.41 0.00 0.00 173.24 175.92